methyl (1S,17S,18S)-17-ethyl-7-[(12R,14S,15E)-15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate

分子结构分类

有机化合物 - 生物碱及其衍生物 - 依波格型生物碱

中文名称

——

中文别名

——

英文名称

methyl (1S,17S,18S)-17-ethyl-7-[(12R,14S,15E)-15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate

英文别名

——

methyl (1S,17S,18S)-17-ethyl-7-[(12R,14S,15E)-15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate化学式

CAS

——

化学式

C₄₃H₅₂N₄O₅

mdl

——

分子量

704.9

InChiKey

IJKBITBRKHUQJS-WIXUJHHTSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

6.1
重原子数：

52
可旋转键数：

7
环数：

10.0
sp3杂化的碳原子比例：

0.53
拓扑面积：

99.9
氢给体数：

2
氢受体数：

7

同类化合物

马山茶碱非洲伏康树碱长春质碱老刺木任硫酸长春质碱海尼山辣椒碱羟基假吲哚榴花碱柳黄酸伏康京碱伊菠胺-18-羧酸甲酯伊菠胺伊菠加因盐酸盐伊博格碱 7-羟基-1-去氢老刺木碱 20-羟基榴花碱 14-((3alpha)-17-甲氧基-17-氧代派利文碱-3-基)-伊菠胺-18-羧酸甲酯 13-甲氧基-14-[(3A)-17-甲氧基-17-氧代派利文碱-3-基]-伊菠胺-18-羧酸甲酯 13-甲氧基-12-[(3a)-17-甲氧基-17-氧代派利文碱-3-基]-伊菠胺-18-羧酸甲酯 12-((3alpha)-17-甲氧基-17-氧代派利文碱-3-基)-伊菠胺-18-羧酸甲酯 11-羟基狗牙花定 10-羟基狗牙花定 (4a,20S)-20-羟基伊菠胺-18-羧酸甲酯 (2S)-1,2,3,4,4abeta,5,6,7,7a,12bbeta-十氢-4alpha-(1-羟基乙基)-9-甲氧基-2alpha,5alpha-甲桥吲哚并[3,2-d][1]苯并氮杂卓-7alpha-醇 epiibogaine N-methylcatharanthine quaternary salt lauryl albifloranine (+/-)-Coronaridine 18-methoxycoronaridine hydrochloride voacangine 19-Ethoxycoronaridin N-methylibogaine 2-(dimethylamino)ethyl (1R,15R,17S,18S)-17-ethyl-7-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-3-carboxylate ethyl (1R,15R,17S,18S)-17-ethyl-7-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-3-carboxylate [(1R,15R,17S,18S)-3-dimethoxyphosphoryl-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-yl] 4-methylpiperazine-1-carboxylate hydron;methyl (1S,15R,17S,18S)-17-ethyl-14-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate;chloride eglandine Ibogamine-18-carboxylic acid, 19-hydroxy-12-methoxy-, methyl ester, (19R)- 3-(beta-Hydroxyethyl)coronaridine Ibogamine-18-carboxylic acid, 13,20-dihydroxy-, methyl ester, (4alpha,20S)- 10-Hydroxyheyneanine Ibogamine-18-carboxylic acid, 21-hydroxy-, methyl ester Ibogamin-20-ol, 8,19-epoxy-12-methoxy-, (4alpha,8beta,19S,20S)- Voacangine Conopharyngine ibogaline (+/-)-coronaridine (-)-Ibogaine (15S,17R)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene (15S,17R)-17-ethyl-7-methoxy-3-methyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene Voacangine 11-(3,4-dimethoxybenzyl)

methyl (1S,17S,18S)-17-ethyl-7-[(12R,14S,15E)-15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate

分子结构分类

计算性质

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