methyl (9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(2S,6Z)-6-ethyl-8-formyl-2-methoxycarbonyl-4-oxo-8,18-diazatricyclo[9.7.0.012,17]octadeca-1(11),6,12,14,16-pentaen-2-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 | 1355-31-3

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 (9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(2S,6Z)-6-ethyl-8-formyl-2-methoxycarbonyl-4-oxo-8,18-diazatricyclo[9.7.0.012,17]octadeca-1(11),6,12,14,16-pentaen-2-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

英文别名

——

methyl (9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(2S,6Z)-6-ethyl-8-formyl-2-methoxycarbonyl-4-oxo-8,18-diazatricyclo[9.7.0.012,17]octadeca-1(11),6,12,14,16-pentaen-2-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化学式

CAS

1355-31-3

化学式

C₄₆H₅₄N₄O₁₀

mdl

——

分子量

822.9

InChiKey

KLFYPJRLOIHTCM-KKILOKFGSA-N

BEILSTEIN

——

EINECS

——

物化性质

熔点：

271-275 °C (decomp)
沸点：

912.8±65.0 °C(Predicted)
密度：

1.37±0.1 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

2.8
重原子数：

60
可旋转键数：

10
环数：

8.0
sp3杂化的碳原子比例：

0.5
拓扑面积：

168
氢给体数：

2
氢受体数：

12

SDS

SDS：b94c27a7fad1dd28618b26aa074a46c3

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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

物化性质

计算性质

SDS

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