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    首页 分子通 (2S,3S,4S,5R,6R)-6-[[(8S)-8-acetamido-13,14,15-trimethoxy-5-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;methyl (2S,3R,4R,5R,6R)-6-[[(8S)-8-acetamido-13,14,15-trimethoxy-5-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]oxy]-5-methyl-3,4-bis(2-methylprop-1-enylperoxy)oxane-2-carboxylate

    (2S,3S,4S,5R,6R)-6-[[(8S)-8-acetamido-13,14,15-trimethoxy-5-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;methyl (2S,3R,4R,5R,6R)-6-[[(8S)-8-acetamido-13,14,15-trimethoxy-5-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]oxy]-5-methyl-3,4-bis(2-methylprop-1-enylperoxy)oxane-2-carboxylate

    分子结构分类

    有机化合物 - 生物碱及其衍生物 - 别秋水仙碱生物碱
    中文名称
    ——
    中文别名
    ——
    英文名称
    (2S,3S,4S,5R,6R)-6-[[(8S)-8-acetamido-13,14,15-trimethoxy-5-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;methyl (2S,3R,4R,5R,6R)-6-[[(8S)-8-acetamido-13,14,15-trimethoxy-5-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]oxy]-5-methyl-3,4-bis(2-methylprop-1-enylperoxy)oxane-2-carboxylate
    英文别名
    ——
    (2S,3S,4S,5R,6R)-6-[[(8S)-8-acetamido-13,14,15-trimethoxy-5-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;methyl (2S,3R,4R,5R,6R)-6-[[(8S)-8-acetamido-13,14,15-trimethoxy-5-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]oxy]-5-methyl-3,4-bis(2-methylprop-1-enylperoxy)oxane-2-carboxylate化学式
    CAS
    ——
    化学式
    C62H78N2O23
    mdl
    ——
    分子量
    1219.3
    InChiKey
    QTTCJWSRLIRWGT-MJNRXBNMSA-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)：
      6.67
    • 重原子数：
      87
    • 可旋转键数：
      21
    • 环数：
      8.0
    • sp3杂化的碳原子比例：
      0.48
    • 拓扑面积：
      312
    • 氢给体数：
      6
    • 氢受体数：
      23

    同类化合物

    别秋水仙碱 N-乙酰基秋水仙醇甲基醚 ANG 453; N-[(5S)-6,7-二氢-9,10,11-三甲氧基-3-(磷酰氧基)-5H-二苯并[a,c]环庚烯-5-基]乙酰胺 N-[(5S)-3-(2-tert-butoxycarbonylethylcarbamoyl)-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-5-yl]acetamide N-[3-amino-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-5-yl]acetamide N-[3-((N-benzyloxycarbonylalanyl)amino)-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-5-yl]acetamide N-[(5S)-3-(2-morpholinoethoxycarbonyl)-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-5-yl]acetamide N-[(5S)-3-(2-morpholinoethoxy)-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-5-yl]acetamide N-(1,2,3,9,10-pentamethoxy-5,6-dihydro-7H-dibenzo[a,c][7]annulen-7-yl)acetamide N-(10-fuoro-9-hydroxy-1,2,3-trimethoxy-5,6-dihydro-7H-dibenzo[a,c][7]annulen-7-yl)acetamide (5S)-5-(acetylamino)-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-3-yl ethyl hydrogen phosphate N-[(5S)-3-phenoxycarbonyloxy-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-5-yl]acetamide (5S)-5-(acetylamino)-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-3-yl hydrogenmethylphosphonate 4-[([(5S)-5-(acetylamino)-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-3-yl]oxycarbonyl)amino]butanoic acid 4-[([(5S)-5-(acetylamino)-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-3-yl]aminocarbonyl)amino]butanoic acid 5-[{(5S)-5-(acetylamino)-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-3-yl}oxycarbonyl]pentanoic acid N-[(5S)-3-(2,3-epoxypropoxy)-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-5-yl]acetamide N-(6-cyano-7-hydroxy-6-(ethoxymethyl)-6,7-dihydro-5H-dibenzo[a,c][7]annulen-5-yl)benzamide N-(6-cyano-7-hydroxy-6-(methoxymethyl)-6,7-dihydro-5H-dibenzo[a,c][7]annulen-5-yl)benzamide N-(6-cyano-3-fluoro-7-hydroxy-6-(isopropoxymethyl)-6,7-dihydro-5Hdibenzo[a,c][7]annulen-5-yl)benzamide ethyl 5-benzamido-7-hydroxy-6-(isopropoxymethyl)-6,7-dihydro-5Hdibenzo[a,c][7]annulene-6-carboxylate ethyl 5-benzamido-6-(ethoxymethyl)-7-hydroxy-6,7-dihydro-5H-dibenzo[a,c][7]annulene-6-carboxylate N-(6-cyano-7-hydroxy-6-(isopropoxymethyl)-6,7-dihydro-5H-dibenzo[a,c][7]annulen-5-yl)furan-2-carboxamide (5S)-5-(acetylamino)-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-3-yl hydrogensulphate N-[(5S)-3-(N,N-dimethylaminoacetylamino)-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-5-yl]acetamide N-[(5S)-9,10,11-trimethoxy-3-([(3-morpholinopropyl)amino]carbonylamino)-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-5-yl]acetamide N-[(5S)-3-phenoxycarbonylamino-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-5-yl]acetamide (5S)-5-(acetylamino)-9,10,11-trimethoxy-N-(3morpholinopropyl)-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-3-carboxamide (5S)-5-(acetylamino)-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-3-yl methyl carbonate N-((1S)-2''-(8-(metoxycarbonyl)octyl)-1',2',3'-trimetoxy-6,7-dihydro-1H-benzo[5',6':5,4]cyclohepta[3,2-f]benzofuran-1-yl)acetamide N-((1S)-2''-(pyridin-2-yl)-1',2',3'-trimethoxy-6,7-dihydro-1H-benzo[5',6':5,4]cyclohepta[3,2-f]benzofuran-1-yl)acetamide N-((1S)-2''-(2-hydroxyethyl)-1',2',3'-trimethoxy-6,7-dihydro-1H-benzo[5',6':5,4]cyclohepta[3,2-f]benzofuran-1-yl)acetamide N-((1S)-2''-(acetoxymethyl)-1',2',3'-trimethoxy-6,7-dihydro-1H-benzo[5',6':5,4]cyclohepta[3,2-f]benzofuran-1-yl)acetamide N-((1S)-2''-((diethylamino)methyl)-1',2',3'-trimethoxy-6,7-dihydro-1H-benzo[5',6':5,4]cyclohepta[3,2-f]benzofuran-1-yl)acetamide N-((1S)-2''-(1-hydroxycyclopentyl)-1',2',3'-trimethoxy-6,7-dihydro-1H-benzo[5',6':5,4]cyclohepta[3,2-f]benzofuran-1-yl)acetamide N-((1S)-2''-(hydroxymethyl)-1',2',3'-trimethoxy-6,7-dihydro-1H-benzo[5',6':5,4]cyclohepta[3,2-f]benzofuran-1-yl)acetamide N-((1S)-2''-(1-hydroxyethyl)-1',2',3'-trimethoxy-6,7-dihydro-1H-benzo[5',6':5,4]cyclohepta[3,2-f]benzofuran-1-yl)acetamide 1'-bromo-2',3',4'-trimethoxybenzo[5',6':4,5]-1H-(aR,1S)-1-acetamido-6,7-dihydrocyclohepta[3, 4-f]-1H-2-hydroxymethylindole 2-chloro-N-(6-cyano-7-hydroxy-6-(isopropoxymethyl)-6,7-dihydro-5Hdibenzo[a,c][7]annulen-5-yl)benzamide (R)-(+)-N-acetylolchinol 5-[N'-(3,5-difluorophenylacetyl)-L-alaninyl]amino-5,7-dihydro-6H-dibenzo[a,c]cyclohepten-6-ol N-(3,9,10,11-tetramethoxy-7-oxo-6,7-dihydro-5H-dibenzo [a,c][7]cyclohepten-5-yl)-2,2,2-trifluoroacetamide (S)-7-acetamido-6,7-dihydro-1,2,3-trimethoxy-7H-dibenzocycloheptene N-(2-iodo-3,9,10,11-tetramethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-5-yl)-acetamide N-(9,10-dimethoxy-7-oxo-6,7-dihydro-5H-dibenzo[a,c][7]cyclohepten-5-yl)-2,2,2-trifluoroacetamide N-(9-hydroxy-1,2,3-trimethoxy-5,6-dihydro-7H-di-benzo[a,c][7]annulen-7-yl)acetamide N-(1,2,3,9-tetramethoxy-5,6-dihydro-7H-dibenzo[a,c][7]annulen-7-yl)acetamide N-(3-hydroxy-9,10-dimethoxy-7-oxo-6,7-dihydro-5H-dibenzo[a,c][7]cyclohepten-5-yl)-2,2,2-trifluoroacetamide N-(3-hydroxy-9,10,11-trimethoxy-7-oxo-6,7-dihydro-5H-dibenzo[a,c][7]cyclohepten-5-yl)-2,2,2-trifluoroacetamide N-(3-hydroxy-2-iodo-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-5-yl)-acetamide

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