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    热门化合物HOT
    • 喹啉
    • 水杨醛
    • 二溴甲烷
    • 谷胱甘肽
    • L-乳酸
    • 苯巴比妥
    • 辣椒碱
    • 非那明
    • 百草枯
    • 联苯烯
    首页 分子通 3-[3-Hydroxy-2-[(12-hydroxy-1,3,11,24,31,41,44-heptamethyl-39-oxo-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-14-yl)methyl]propyl]sulfinyl-2-(tetradecanoylamino)propanoic acid

    3-[3-Hydroxy-2-[(12-hydroxy-1,3,11,24,31,41,44-heptamethyl-39-oxo-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-14-yl)methyl]propyl]sulfinyl-2-(tetradecanoylamino)propanoic acid

    分子结构分类

    有机化合物 - 苯丙烷和聚酮 - 短裸甲藻毒素及其衍生物
    中文名称
    ——
    中文别名
    ——
    英文名称
    3-[3-Hydroxy-2-[(12-hydroxy-1,3,11,24,31,41,44-heptamethyl-39-oxo-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-14-yl)methyl]propyl]sulfinyl-2-(tetradecanoylamino)propanoic acid
    英文别名
    3-[3-hydroxy-2-[(12-hydroxy-1,3,11,24,31,41,44-heptamethyl-39-oxo-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-14-yl)methyl]propyl]sulfinyl-2-(tetradecanoylamino)propanoic acid
    3-[3-Hydroxy-2-[(12-hydroxy-1,3,11,24,31,41,44-heptamethyl-39-oxo-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-14-yl)methyl]propyl]sulfinyl-2-(tetradecanoylamino)propanoic acid化学式
    CAS
    ——
    化学式
    C67H105NO18S
    mdl
    ——
    分子量
    1244.6
    InChiKey
    KYAFYTFKYPFMOV-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)：
      7.5
    • 重原子数：
      87
    • 可旋转键数：
      21
    • 环数：
      11.0
    • sp3杂化的碳原子比例：
      0.9
    • 拓扑面积：
      262
    • 氢给体数：
      4
    • 氢受体数：
      19

    同类化合物

    裸藻毒素C β-金环蛇毒 α-金环蛇毒 PbTx-6 brevetoxin B Brevetoxin 3 Toxin T-34 Ptychodiscus brevis toxin 5 2-[[(24Z,49Z)-41-Hydroxy-4,8,10,46-tetramethyl-14-oxo-2,7,13,17,21,28,34,38,43,47-decaoxadecacyclo[25.24.0.03,22.06,20.08,18.012,16.029,48.033,46.035,44.037,42]henpentaconta-24,49-dien-39-yl]methyl]prop-2-enal (1R,3S,11S,12S,14R,16R,18S,20R,21Z,24S,26R,28S,30R,31R,33S,35R,37S,44S)-12-hydroxy-14-[2-(hydroxymethyl)prop-2-enyl]-1,3,11,24,31,41,44-heptamethyl-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-39-one brevetoxin-2 brevetoxin-3 Brevetoxin Cysteine-PbTx sulfoxide (1S,3R,5S,7R,12S,14R,16S,18R,19R,21S,23R,25S,26R,28S,30R)-5,8,18,25,28,30-hexamethyl-26-phenylmethoxy-25-(2-phenylmethoxyethyl)-2,6,11,15,20,24,29-heptaoxaheptacyclo[17.13.0.03,16.05,14.07,12.021,30.023,28]dotriacont-8-en-10-one brevetoxin A 2-amino-3-[3-hydroxy-2-[[(21Z)-12-hydroxy-1,3,11,24,31,41,44-heptamethyl-39-oxo-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-14-yl]methyl]propyl]sulfinylpropanoic acid Brevetoxin B4b Brevetoxin B4a (21Z)-12-Hydroxy-14-(1-hydroxypropan-2-yl)-1,3,11,24,31,41,44-heptamethyl-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-39-one 2-[[(1R,3S,5R,7S,9R,11S,12S,14R,24S,31R,42R,44S,48S)-12-hydroxy-1,3,7,24,31,41,44-heptamethyl-39-oxo-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-14-yl]methyl]prop-2-enyl anthracene-2-carboxylate (1S,3R,4S,6S,8R,10R,12S,16R,18S,20R,22S,27R,29S,33R,35S,37R,39S,41S,42S,44R,46S,48R)-39-(2-hydroperoxyprop-2-enyl)-41-hydroxy-4,8,10,46-tetramethyl-2,7,13,17,21,28,34,38,43,47-decaoxadecacyclo[25.24.0.03,22.06,20.08,18.012,16.029,48.033,46.035,44.037,42]henpentaconta-24,49-dien-14-one 2-[[(1R,3S,5R,7S,9R,11S,16R,18S,20R,24S,26R,28S,30R,31R,33S,35R,37S,42R,44S,46R,48S)-12-hydroxy-1,3,11,24,31,41,44-heptamethyl-39-oxo-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-14-yl]methyl]prop-2-enal 2-[[(1S,3R,4S,6S,8R,10R,12S,39R,41S,42S,44R,46S,48R)-41-hydroxy-4,8,10,46-tetramethyl-14-oxo-2,7,13,17,21,28,34,38,43,47-decaoxadecacyclo[25.24.0.03,22.06,20.08,18.012,16.029,48.033,46.035,44.037,42]henpentaconta-24,49-dien-39-yl]methyl]prop-2-enyl naphthalene-1-carboxylate 2-[[(1S,3R,4S,6S,8R,10R,12S,39R,42S,44R,46S,48R)-41-hydroxy-4,8,10,46-tetramethyl-14-oxo-2,7,13,17,21,28,34,38,43,47-decaoxadecacyclo[25.24.0.03,22.06,20.08,18.012,16.029,48.033,46.035,44.037,42]henpentaconta-24,49-dien-39-yl]methyl]prop-2-enyl anthracene-9-carboxylate 12-hydroxy-14-(1-hydroxypropan-2-yl)-1,3,11,24,31,41,44-heptamethyl-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-39-one 2-[[(1S,3R,4S,6S,8R,10R,12S,39R,41S,42S,44R,46S,48R)-41-hydroxy-4,8,10,46-tetramethyl-14-oxo-2,7,13,17,21,28,34,38,43,47-decaoxadecacyclo[25.24.0.03,22.06,20.08,18.012,16.029,48.033,46.035,44.037,42]henpentaconta-24,49-dien-39-yl]methyl]prop-2-enyl anthracene-1-carboxylate 2-[[(1S,3R,4S,6S,8R,10R,12S,39R,41S,42S,44R,46S,48R)-41-hydroxy-4,8,10,46-tetramethyl-14-oxo-2,7,13,17,21,28,34,38,43,47-decaoxadecacyclo[25.24.0.03,22.06,20.08,18.012,16.029,48.033,46.035,44.037,42]henpentaconta-24,49-dien-39-yl]methyl]prop-2-enyl naphthalene-2-carboxylate 2-[[(1R,3S,5R,7S,9R,11S,12S,14R,16R,18S,20R,24S,26R,28S,30R,31R,33S,35R,37S,42R,44S,46R,48S)-12-hydroxy-1,3,11,24,31,41,44-heptamethyl-39-oxo-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-14-yl]methyl]prop-2-enoic acid 2-[[(1S,3R,4S,6S,8R,10R,12S,39R,41S,42S,44R,46S,48R)-41-hydroxy-4,8,10,46-tetramethyl-14-oxo-2,7,13,17,21,28,34,38,43,47-decaoxadecacyclo[25.24.0.03,22.06,20.08,18.012,16.029,48.033,46.035,44.037,42]henpentaconta-24,31,49-trien-39-yl]methyl]prop-2-enyl benzoate 2-[[(1S,3R,4S,6S,8R,10S,12S,39R,41S,42S,44R,46S,48R)-12,41-dihydroxy-4,8,10,46-tetramethyl-14-oxo-2,7,13,17,21,28,34,38,43,47-decaoxadecacyclo[25.24.0.03,22.06,20.08,18.012,16.029,48.033,46.035,44.037,42]henpentaconta-24,49-dien-39-yl]methyl]prop-2-enyl anthracene-2-carboxylate 2-[[(1S,3R,4S,6S,8R,10R,12S,39R,41S,42S,44R,46S,48R)-41-hydroxy-4,8,10,46-tetramethyl-14-oxo-2,7,13,17,21,28,34,38,43,47-decaoxadecacyclo[25.24.0.03,22.06,20.08,18.012,16.029,48.033,46.035,44.037,42]henpentaconta-24,49-dien-39-yl]methyl]prop-2-enyl anthracene-2-carboxylate 2-[[(1R,3S,5R,7S,9R,11S,31R,42R,44S,46R,48S)-12-hydroxy-1,3,11,24,31,41,44-heptamethyl-39-oxo-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-14-yl]methyl]prop-2-enal 2-[[(1S,3R,4S,6S,8R,10R,12S,39R,41S,42S,44R,46S,48R)-41-hydroxy-4,8,10,46-tetramethyl-14-oxo-2,7,13,17,21,28,34,38,43,47-decaoxadecacyclo[25.24.0.03,22.06,20.08,18.012,16.029,48.033,46.035,44.037,42]henpentaconta-24,49-dien-39-yl]methyl]prop-2-enyl anthracene-9-carboxylate 2-[[(1S,3R,4S,6S,8R,10R,12S,39R,41S,42S,44R,46S,48R)-41-hydroxy-4,8,10,46-tetramethyl-14-oxo-2,7,13,17,21,28,34,38,43,47-decaoxadecacyclo[25.24.0.03,22.06,20.08,18.012,16.029,48.033,46.035,44.037,42]henpentaconta-24,49-dien-39-yl]methyl]prop-2-enyl benzoate 2-[[(1R,3S,5R,7S,9R,11S,12S,14R,24S,31R,42R,44S,48S)-12-hydroxy-1,3,11,24,31,41,44-heptamethyl-39-oxo-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-14-yl]methyl]prop-2-enyl anthracene-9-carboxylate 2-[[(1S,3R,4S,6S,8R,10R,12S,39R,41S,42S,44R,46S,48R)-41-hydroxy-4,8,10,46-tetramethyl-14-oxo-2,7,13,17,21,28,34,38,43,47-decaoxadecacyclo[25.24.0.03,22.06,20.08,18.012,16.029,48.033,46.035,44.037,42]henpentaconta-24,31,49-trien-39-yl]methyl]prop-2-enyl naphthalene-2-carboxylate 2-[[(1S,3R,4S,6S,8R,12S,39R,41S,42S,44R,46S,48R)-41-hydroxy-4,8,10,46-tetramethyl-14-oxo-2,7,13,17,21,28,34,38,43,47-decaoxadecacyclo[25.24.0.03,22.06,20.08,18.012,16.029,48.033,46.035,44.037,42]henpentaconta-24,49-dien-39-yl]methyl]prop-2-enyl benzoate 2-[[(1R,3S,5R,7S,9R,11S,12S,14R,24S,31R,42R,44S,48S)-12-hydroxy-1,3,11,24,31,41,44-heptamethyl-39-oxo-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-14-yl]methyl]prop-2-enyl anthracene-2-carboxylate 2-[[(1R,3S,5R,7S,9R,11S,12S,14R,24S,31R,42R,44S,48S)-12-hydroxy-1,3,11,24,31,41,44-heptamethyl-39-oxo-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-14-yl]methyl]prop-2-enyl anthracene-1-carboxylate Brevetoxin(9ci) 2-[(12-Hydroxy-1,3,11,24,31,41,44-heptamethyl-39-oxo-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-14-yl)methyl]prop-2-enoic acid Ptychodiscus brevis toxin 6 2-[(12-Hydroxy-1,3,11,31,41,44-hexamethyl-39-oxo-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-14-yl)methyl]prop-2-enal [14-(2-Formylprop-2-enyl)-1,3,11,24,31,41,44-heptamethyl-39-oxo-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-12-yl] acetate 2-(Hexadecanoylamino)-3-[3-hydroxy-2-[(12-hydroxy-1,3,11,24,31,41,44-heptamethyl-39-oxo-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-14-yl)methyl]propyl]sulfinylpropanoic acid 2-[(41-Hydroxy-4,6,8,10,46-pentamethyl-14-oxo-2,7,13,17,21,28,34,38,43,47-decaoxadecacyclo[25.24.0.03,22.06,20.08,18.012,16.029,48.033,46.035,44.037,42]henpentaconta-24,49-dien-39-yl)methyl]prop-2-enal 2-[(41-Hydroxy-4,8,10-trimethyl-14-oxo-2,7,13,17,21,28,34,38,43,47-decaoxadecacyclo[25.24.0.03,22.06,20.08,18.012,16.029,48.033,46.035,44.037,42]henpentaconta-24,49-dien-39-yl)methyl]prop-2-enal 2-[2-[(12-Hydroxy-1,3,11,24,31,41,44-heptamethyl-39-oxo-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-14-yl)methyl]prop-2-enoylamino]ethanesulfonic acid 14-(3-Chloro-2-oxopropyl)-12-hydroxy-1,3,11,24,31,41,44-heptamethyl-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-39-one

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