methyl (13S,15S,16R,18S)-13-[(1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-10-methoxycarbonyl-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraen-17-yl]-18-ethyl-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraene-13-carboxylate

分子结构分类

有机化合物 - 生物碱及其衍生物 - 鸡蛋花型生物碱

中文名称

——

中文别名

——

英文名称

methyl (13S,15S,16R,18S)-13-[(1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-10-methoxycarbonyl-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraen-17-yl]-18-ethyl-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraene-13-carboxylate

英文别名

——

methyl (13S,15S,16R,18S)-13-[(1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-10-methoxycarbonyl-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraen-17-yl]-18-ethyl-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraene-13-carboxylate化学式

CAS

——

化学式

C₄₆H₅₆N₄O₉

mdl

——

分子量

809.0

InChiKey

OHDAOWKAOQAEGR-CZUAIMPLSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

3.8
重原子数：

59
可旋转键数：

10
环数：

10.0
sp3杂化的碳原子比例：

0.59
拓扑面积：

146
氢给体数：

2
氢受体数：

12

同类化合物

长春立辛长春新碱M1 脱乙酰基文多灵罗西定碱温都罗新文多灵它波宁盐酸盐它勃宁 Ervamycine; 11-甲氧基水甘草碱 4',5'-二去氢-4'-脱氧-2',19'-二氧代-2',19'-仲长春碱 11-羟基他波宁 (-)-14,15-didehydroaspidospermidine 4-deacetyl-4-propoxylvindoline hydroxyvinamidine 4-deacetyl-4-butoxylvindoline 4-deacetyl-4-(cyclohexanecarbonyl)oxyvindoline vinamidine jerantinine A acetate N-[[(1R,9R,12R,14S,19R)-14-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-trien-11-ylidene]amino]-4-methylbenzenesulfonamide 16-methoxy-1-methyl-6,7-didehydro-aspidospermidin-4-one (+)-20R-1,2-dehydro-Ψ-aspidospermidine methyl (1R,9R,10S,12S,19S)-12-ethenyl-8,16-diazahexacyclo[10.6.1.01,9.02,7.08,10.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate (1R,9R,12R,19R)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-triene-11,17-dione methyl (1R,9R,10S,12R,19S)-12-ethyl-8,16-diazahexacyclo[10.6.1.01,9.02,7.08,10.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate 3-Oxo-11-methoxytabersonine Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-3-hydroxy-16-methoxy-1-methyl-, methyl ester, (2beta,3beta,4beta,5alpha,12beta,19alpha)- melodinine P N-methyltabersonine 14,15-didehydro-16-hydroxy-<3H>indole ent-N(1)-methyl-14,15-didehydroaspidospermidine vindoline hydrochloride Mbid (3aS,5R,10bR,12bS)-5-Chloro-3a-ethyl-12-oxo-2,3,3a,4,5,11,12,12b-octahydro-1H-6,12a-diaza-indeno[7,1-cd]fluorene-5-carboxylic acid methyl ester (3aS,5R,10bR,12R,12bS)-5-Chloro-12-cyano-3a-ethyl-2,3,3a,4,5,11,12,12b-octahydro-1H-6,12a-diaza-indeno[7,1-cd]fluorene-5-carboxylic acid methyl ester (3aS,5aR,10bR,12bR)-6-Ethyl-2,3,3a,5a,6,12b-hexahydro-1H,5H-6,12a-diaza-indeno[7,1-cd]fluorene-4,12-dione jerantinine A jerantinine C 10-O-methyljerantinine A baloxine 2βH,3αH-tubersonine methyl 15-bromo-2,3,6,7-tetrahydro-(5α,12β,19α)-aspidospermidine-3-carboxylate methyl 15-bromo-6,7-didehydro-(2β,5α,12β,19α)-aspidospermidine-3α-carboxylate 2,3-didehydro-20,21-dinor-aspidospermidine-3-carboxylic acid methyl ester methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(1R,3S,14R)-18-ethyl-3-methoxycarbonyl-14-[[(2S)-2-methoxycarbonylpyrrolidin-1-yl]methyl]-5,16-diazatetracyclo[14.3.1.04,12.06,11]icosa-4(12),6,8,10,18-pentaen-3-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate 20-deethyl-17-ethoxy-1-(p-tolylsulfonyl)-2,16,17,20-tetradehydroaspidospermidine 3α-acetonyl-tabersonine 20-desethyl-17-formyl-5-oxo-16,17-dehydroaspidospermidine Alkaloid XC-99 16-Chloro-1-dehydrovincadifformine Methyl 11-acetyloxy-12-ethyl-4-[(Z)-1-(16-ethyl-16-hydroxy-3,13-diazatetracyclo[11.2.2.02,10.04,9]heptadeca-2(10),4,6,8-tetraen-15-yl)-3-methoxy-3-oxoprop-1-en-2-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate

分子结构分类

计算性质

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