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    • 喹啉
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    首页 分子通 5-[14,34-Dihydroxy-13,25,27,30,35-pentamethyl-39-methylidene-13-(3-sulfooxypropyl)-4,8,12,17,21,26,32,36,41,45,49-undecaoxaundecacyclo[25.22.0.03,25.05,22.07,20.09,18.011,16.031,48.033,46.035,44.037,42]nonatetracontan-40-yl]-5-hydroxy-2-prop-2-enylhex-3-enoic acid

    5-[14,34-Dihydroxy-13,25,27,30,35-pentamethyl-39-methylidene-13-(3-sulfooxypropyl)-4,8,12,17,21,26,32,36,41,45,49-undecaoxaundecacyclo[25.22.0.03,25.05,22.07,20.09,18.011,16.031,48.033,46.035,44.037,42]nonatetracontan-40-yl]-5-hydroxy-2-prop-2-enylhex-3-enoic acid

    分子结构分类

    有机化合物 - 苯丙烷和聚酮 - 雪卡毒素
    中文名称
    ——
    中文别名
    ——
    英文名称
    5-[14,34-Dihydroxy-13,25,27,30,35-pentamethyl-39-methylidene-13-(3-sulfooxypropyl)-4,8,12,17,21,26,32,36,41,45,49-undecaoxaundecacyclo[25.22.0.03,25.05,22.07,20.09,18.011,16.031,48.033,46.035,44.037,42]nonatetracontan-40-yl]-5-hydroxy-2-prop-2-enylhex-3-enoic acid
    英文别名
    5-[14,34-dihydroxy-13,25,27,30,35-pentamethyl-39-methylidene-13-(3-sulfooxypropyl)-4,8,12,17,21,26,32,36,41,45,49-undecaoxaundecacyclo[25.22.0.03,25.05,22.07,20.09,18.011,16.031,48.033,46.035,44.037,42]nonatetracontan-40-yl]-5-hydroxy-2-prop-2-enylhex-3-enoic acid
    5-[14,34-Dihydroxy-13,25,27,30,35-pentamethyl-39-methylidene-13-(3-sulfooxypropyl)-4,8,12,17,21,26,32,36,41,45,49-undecaoxaundecacyclo[25.22.0.03,25.05,22.07,20.09,18.011,16.031,48.033,46.035,44.037,42]nonatetracontan-40-yl]-5-hydroxy-2-prop-2-enylhex-3-enoic acid化学式
    CAS
    ——
    化学式
    C56H84O20S
    mdl
    ——
    分子量
    1109.3
    InChiKey
    OWTJIRFGFJQHKU-UHFFFAOYSA-N
    BEILSTEIN
    ——
    EINECS
    ——
    • 物化性质
    • 计算性质
    • ADMET
    • 安全信息
    • SDS
    • 制备方法与用途
    • 上下游信息
    • 反应信息
    • 文献信息
    • 表征谱图
    • 同类化合物
    • 相关功能分类
    • 相关结构分类

    计算性质

    • 辛醇/水分配系数(LogP)：
      2.6
    • 重原子数：
      77
    • 可旋转键数：
      11
    • 环数：
      11.0
    • sp3杂化的碳原子比例：
      0.88
    • 拓扑面积：
      272
    • 氢给体数：
      5
    • 氢受体数：
      20

    同类化合物

    雪卡鱼毒素 同质毒素 1-甲基-5-(3-叠氮-2,3-二脱氧-2-氟-β-呋喃阿拉伯糖基)尿苷 (2R,2'R,3a'S,4a'R,5'S,6'S,6a'S,9'S,10'S,10a'R,11a'S,12a'R,13a'S,14a'R,15a'S,17'Z,19a'R,20a'S,22a'R,23a'S,24'R,24a'R,29a'S,30a'R,31a'S,32a'R,34a'S,35a'R,37'R,37a'S,38a'R)-26'-[(1E)-丁-1,3-二烯-1-基]-2',5',9',10',37a'-五甲基-1',3',3a',4,4a',5,5',6',6 Ciguatoxin-3 CTX3C Desulfo-yessotoxin Yessotoxin Ciguatoxin 3C (2S,3R,4aS,5aR,6aS,9aR,10aS,12aR,13aS,17aR,18aS,19aR,20aS,21aR,22aS,23aR)-2-(benzyloxy)-3-((benzyloxy)methyl)octacosahydro-1H-pyrano[2''',3''':5'',6'']pyrano[2'',3'':6',7']oxepino[2',3':5,6]pyrano[3,2-b]pyrano[2'',3'':5',6']pyrano[2',3':5,6]pyrano[2,3-g]oxocine Scaritoxin Gambiertoxin 4b (1S,3S,6R,8S,10R,12S,16S,18S,19R,20R,22S,25R,27R,29Z,32S,34R,36S,38S,40R,42S,43R,44S,45S,47S,48S,49S,50R,52S,54R,56R,58R,59R)-16-[(1Z)-buta-1,3-dienyl]-43,44,49,54,58-pentamethylspiro[2,7,11,17,21,26,33,37,41,46,51,57-dodecaoxadodecacyclo[30.28.0.03,27.06,25.08,22.010,20.012,18.034,58.036,56.038,52.040,50.042,47]hexaconta-4,14,23,29-tetraene-45,2'-oxolane]-19,48,59-triol [(1R,3S,5R,6S,7S,8R,10S,11S,12S,13R,15S,17R,19R,21S,22R,24S)-6,7,12,17,21-pentamethyl-11-(naphthalen-2-ylmethoxy)-21-[(1R)-1-(naphthalen-2-ylmethoxy)but-3-enyl]spiro[4,9,14,20,25-pentaoxapentacyclo[13.10.0.03,13.05,10.019,24]pentacosane-8,2'-oxolane]-22-yl]oxy-tri(propan-2-yl)silane [(1R,3S,5R,7S,9R,11S,13R,14R,16S,18R,22R,25S,27S,30S,31R,33R,34S,35R,37R,40S,42R,44S,46S,48R)-34-hydroxy-40-[(2S,3Z)-2-hydroxy-5-methylideneocta-3,7-dien-2-yl]-13,25,27,30,35-pentamethyl-39-methylidene-13-(2-sulfooxyethyl)-4,8,12,17,21,26,32,36,41,45,49-undecaoxaundecacyclo[25.22.0.03,25.05,22.07,20.09,18.011,16.031,48.033,46.035,44.037,42]nonatetracontan-14-yl] hydrogen sulfate [(1R,3S,4'S,5R,6S,7S,8R,10S,11S,12S,13R,15S,17R,19R,21S,22R,24S)-6,7,12,17,21-pentamethyl-4',11-bis(naphthalen-2-ylmethoxy)-21-[(1R)-1-(naphthalen-2-ylmethoxy)-3-phenylsulfanylpropyl]spiro[4,9,14,20,25-pentaoxapentacyclo[13.10.0.03,13.05,10.019,24]pentacosane-8,2'-oxolane]-22-yl]oxy-tri(propan-2-yl)silane [(1R,3S,5R,7S,9R,11S,13R,14S,16R,18S,20R,22S,25R,27S,30S,31R,33S,34R,35R,37S,40S,42R,44S,46R,48S)-34-hydroxy-13-(2-hydroxyethyl)-40-[(2R,3E)-2-hydroxy-5-methylideneocta-3,7-dien-2-yl]-13,25,27,30,35-pentamethyl-39-methylidene-4,8,12,17,21,26,32,36,41,45,49-undecaoxaundecacyclo[25.22.0.03,25.05,22.07,20.09,18.011,16.031,48.033,46.035,44.037,42]nonatetracontan-14-yl] hydrogen sulfate [(1R,3S,5R,7S,9R,11S,13R,14S,16R,18S,20R,22S,25R,27S,30S,31R,33S,34R,35R,37S,40S,42R,44S,46R,48S)-34-hydroxy-40-[(2R,3E)-2-hydroxyhexa-3,5-dien-2-yl]-13,25,27,30,35-pentamethyl-39-methylidene-13-(2-sulfooxyethyl)-4,8,12,17,21,26,32,36,41,45,49-undecaoxaundecacyclo[25.22.0.03,25.05,22.07,20.09,18.011,16.031,48.033,46.035,44.037,42]nonatetracontan-14-yl] hydrogen sulfate (E,2R,5R)-5-hydroxy-5-[(1R,3S,5R,7S,9R,11S,13R,14S,16R,18S,20R,22S,25R,27S,30S,31R,33S,34R,35R,37S,40S,42R,44S,46R,48S)-34-hydroxy-13,25,27,30,35-pentamethyl-39-methylidene-14-sulfooxy-13-(2-sulfooxyethyl)-4,8,12,17,21,26,32,36,41,45,49-undecaoxaundecacyclo[25.22.0.03,25.05,22.07,20.09,18.011,16.031,48.033,46.035,44.037,42]nonatetracontan-40-yl]-2-prop-2-enylhex-3-enoic acid [(1R,3S,4'S,5R,6S,7S,8R,10S,11S,12S,13R,15S,17R,19R,21S,22R,24S)-6,7,12,17,21-pentamethyl-4',11-bis(naphthalen-2-ylmethoxy)-22-tri(propan-2-yl)silyloxyspiro[4,9,14,20,25-pentaoxapentacyclo[13.10.0.03,13.05,10.019,24]pentacosane-8,2'-oxolane]-21-yl]methanol (1R)-1-[(1R,3S,4'S,5R,6S,7S,8R,10S,11S,12S,13R,15S,17R,19R,21S,22R,24S)-6,7,12,17,21-pentamethyl-4',11-bis(naphthalen-2-ylmethoxy)-22-tri(propan-2-yl)silyloxyspiro[4,9,14,20,25-pentaoxapentacyclo[13.10.0.03,13.05,10.019,24]pentacosane-8,2'-oxolane]-21-yl]but-3-en-1-ol tert-butyl-[[(1R,3S,4'S,5R,6S,7S,8R,10S,11S,12S,13R,15S,17R,19R,21S,22R,24S)-3-methoxy-6,7,12,17,21-pentamethyl-4',11-bis(naphthalen-2-ylmethoxy)-22-tri(propan-2-yl)silyloxyspiro[4,9,14,20,25-pentaoxapentacyclo[13.10.0.03,13.05,10.019,24]pentacosane-8,2'-oxolane]-21-yl]methoxy]-diphenylsilane [(1R,3S,4'S,5R,6S,7S,8R,10S,11S,12S,13R,15S,17R,19R,21S,22R,24S)-6,7,12,17,21-pentamethyl-4',11-bis(naphthalen-2-ylmethoxy)-21-[(1R)-1-(naphthalen-2-ylmethoxy)but-3-enyl]spiro[4,9,14,20,25-pentaoxapentacyclo[13.10.0.03,13.05,10.019,24]pentacosane-8,2'-oxolane]-22-yl]oxy-tri(propan-2-yl)silane [(3R)-3-[(1R,3S,4'S,5R,6S,7S,8R,10R,11S,12R,13R,15S,19R,21S,22R,24S)-4',22-dibenzoyloxy-6,7,12,21-tetramethyl-17-oxo-11-tri(propan-2-yl)silyloxyspiro[4,9,14,20,25-pentaoxapentacyclo[13.10.0.03,13.05,10.019,24]pentacosane-8,2'-oxolane]-21-yl]-3-hydroxypropyl] benzoate (1R,3S,5R,6S,7S,8R,10S,11S,12S,13R,15S,17R,19R,21S,22R,24S)-21-[(1R)-1-hydroxybut-3-enyl]-6,7,12,17,21-pentamethyl-22-tri(propan-2-yl)silyloxyspiro[4,9,14,20,25-pentaoxapentacyclo[13.10.0.03,13.05,10.019,24]pentacosane-8,2'-oxolane]-11-ol {34-hydroxy-40-[(3E)-2-hydroxy-5-methylideneocta-3,7-dien-2-yl]-13,25,27,30,35-pentamethyl-39-methylidene-13-[2-(sulfooxy)ethyl]-4,8,12,17,21,26,32,36,41,45,49-undecaoxaundecacyclo[25.22.0.0^{3,25}.0^{5,22}.0^{7,20}.0^{9,18}.0^{11,16}.0^{31,48}.0^{33,46}.0^{35,44}.0^{37,42}]nonatetracontan-14-yl}oxidanesulfonic acid 45-Hydroxyyessotoxin Pacific Ciguatoxin 3 Pacific Ciguatoxin 4A [34-hydroxy-13-(2-hydroxyethyl)-40-[(3E)-2-hydroxy-5-methylideneocta-3,7-dien-2-yl]-13,25,27,30,35-pentamethyl-39-methylidene-4,8,12,17,21,26,32,36,41,45,49-undecaoxaundecacyclo[25.22.0.03,25.05,22.07,20.09,18.011,16.031,48.033,46.035,44.037,42]nonatetracontan-14-yl] hydrogen sulfate 3-De(2-(sulfooxy)ethyl)-3-(3-(sulfooxy)propyl)-Yessotoxin 3-Hydroxy-7-oxociguatoxin 54-Deoxy-50-hydroxyciguatoxin 52-Epiciguatoxin 4-Hydroxy-7-oxociguatoxin 7-Oxociguatoxin M-Secociguatoxin 4A (E)-5-hydroxy-5-[34-hydroxy-13,25,27,30,35-pentamethyl-39-methylidene-14-sulfooxy-13-(3-sulfooxypropyl)-4,8,12,17,21,26,32,36,41,45,49-undecaoxaundecacyclo[25.22.0.03,25.05,22.07,20.09,18.011,16.031,48.033,46.035,44.037,42]nonatetracontan-40-yl]-2-prop-2-enylhex-3-enoic acid (1R,3S,6R,8S,10R,12S,16R,18R,19R,20S,22R,25S,27R,29Z,32S,34R,36S,38R,40S,42R,43S,44S,45S,47S,48S,49S,50R,52S,54R,56R,58S,59R)-16-[(1E)-buta-1,3-dienyl]-43,44,49,54,58-pentamethylspiro[2,7,11,17,21,26,33,37,41,46,51,57-dodecaoxadodecacyclo[30.28.0.03,27.06,25.08,22.010,20.012,18.034,58.036,56.038,52.040,50.042,47]hexaconta-4,14,23,29-tetraene-45,2'-oxolane]-19,48,59-triol (1R,3S,6R,8S,10R,12S,16R,18R,19R,20S,22R,25S,27R,29E,32S,34R,36S,38R,40S,42R,43S,44S,45R,47S,48S,49S,50R,52S,54R,56R,58S,59R)-16-[(E,3S)-3,4-dihydroxybut-1-enyl]-43,44,49,54,58-pentamethylspiro[2,7,11,17,21,26,33,37,41,46,51,57-dodecaoxadodecacyclo[30.28.0.03,27.06,25.08,22.010,20.012,18.034,58.036,56.038,52.040,50.042,47]hexaconta-4,14,23,29-tetraene-45,2'-oxolane]-19,48,59-triol (1R,3S,6R,8S,10R,12S,16R,18R,19R,20S,22R,25S,27R,29E,32S,34R,36S,38R,40S,42R,43S,44S,45S,47S,48S,49S,50R,52S,54R,56R,58S,59R)-16-[(E,3S)-3,4-dihydroxybut-1-enyl]-43,44,49,54,58-pentamethylspiro[2,7,11,17,21,26,33,37,41,46,51,57-dodecaoxadodecacyclo[30.28.0.03,27.06,25.08,22.010,20.012,18.034,58.036,56.038,52.040,50.042,47]hexaconta-4,14,23,29-tetraene-45,2'-oxolane]-19,48,59-triol (1R,3S,5R,6S,7S,10S,11S,12S,13R,15S,17R,19R,21S,22R,24S)-21-ethenyl-6,7,12,17,21-pentamethyl-22-tri(propan-2-yl)silyloxyspiro[4,9,14,20,25-pentaoxapentacyclo[13.10.0.03,13.05,10.019,24]pentacosane-8,2'-oxolane]-11-ol [(1R,3S,5R,7S,9R,11S,13R,14S,16R,18S,20R,22S,25R,27S,30S,31R,33S,35R,37S,40S,42R,44S,46R,48S)-40-[(2R,3E)-2-hydroxy-5-methylideneocta-3,7-dien-2-yl]-13,25,27,30,35-pentamethyl-39-methylidene-13-(2-sulfonatooxyethyl)-4,8,12,17,21,26,32,36,41,45,49-undecaoxaundecacyclo[25.22.0.03,25.05,22.07,20.09,18.011,16.031,48.033,46.035,44.037,42]nonatetracontan-14-yl] sulfate (1R,3S,3'S,6R,8S,10R,12S,16R,18R,19R,20S,22R,25S,27R,31R,33R,35S,37R,39S,41R,42S,43S,46S,47S,48S,49R,51S,53R,55R,57S,58R)-16-[(3S)-3,4-dihydroxybut-1-enyl]-42,43,48,53,57-pentamethylspiro[2,7,11,17,21,26,32,36,40,45,50,56-dodecaoxadodecacyclo[29.28.0.03,27.06,25.08,22.010,20.012,18.033,57.035,55.037,51.039,49.041,46]nonapentaconta-4,14,23,29-tetraene-44,5'-oxolane]-3',19,47,58-tetrol (1R,3S,3'S,6R,8S,10R,12S,16R,18R,19R,20S,22R,25S,27R,32S,34R,36S,38R,40S,42R,43S,44S,47S,49S,50R,52S,54R,56R,58S,59R)-16-[(3S)-3,4-dihydroxybut-1-enyl]-43,44,49,54,58-pentamethylspiro[2,7,11,17,21,26,33,37,41,46,51,57-dodecaoxadodecacyclo[30.28.0.03,27.06,25.08,22.010,20.012,18.034,58.036,56.038,52.040,50.042,47]hexaconta-4,14,23,29-tetraene-45,5'-oxolane]-3',19,48,59-tetrol (3R)-3-[(1R,3S,5R,6S,7S,10S,11S,12S,13R,15S,17R,19R,21S,22R,24S)-6,7,11,12,17,21-hexamethyl-22-tri(propan-2-yl)silyloxyspiro[4,9,14,20,25-pentaoxapentacyclo[13.10.0.03,13.05,10.019,24]pentacosane-8,2'-oxolane]-21-yl]butanal (1R,3S,3'S,6R,8S,10R,12S,16R,18R,19R,20S,22R,25S,27R,32S,34R,36S,38R,40S,42R,43S,44S,47S,48S,49S,50R,52S,54R,56R,58S,59R)-16-[(3S)-3,4-dihydroxybut-1-enyl]-43,44,49,54,58-pentamethylspiro[2,7,11,17,21,26,33,37,41,46,51,57-dodecaoxadodecacyclo[30.28.0.03,27.06,25.08,22.010,20.012,18.034,58.036,56.038,52.040,50.042,47]hexaconta-4,14,23,29-tetraene-45,5'-oxolane]-3',19,48,59-tetrol (1R,3S,3'S,6R,8S,10R,12S,16R,18R,19R,20S,22R,25S,27R,32S,34R,36S,38R,40S,42R,43S,44S,45R,47S,49S,50R,52S,54R,56R,58S,59R)-43,44,49,54,58-pentamethyl-16-[2-(2-naphthalen-2-yl-1,3-dioxolan-4-yl)ethenyl]spiro[2,7,11,17,21,26,33,37,41,46,51,57-dodecaoxadodecacyclo[30.28.0.03,27.06,25.08,22.010,20.012,18.034,58.036,56.038,52.040,50.042,47]hexaconta-4,14,23,29-tetraene-45,5'-oxolane]-3',19,48,59-tetrol ciguatoxin (1R,3S,7R,9S,11R,13S,19R,20R,21S,23R,26S,28R,32S,34R,36S,38R,40S,42R,43S,44S,47S,48S,49S,50R,52S,54R,56R,58S,59R)-43,44,49,54,58-pentamethylspiro[2,8,12,18,22,27,33,37,41,46,51,57-dodecaoxadodecacyclo[30.28.0.03,28.07,26.09,23.011,21.013,19.034,58.036,56.038,52.040,50.042,47]hexaconta-4,15,24,30-tetraene-45,2'-oxolane]-20,48,59-triol

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