methyl (15S,16S,20R)-11-[(2R)-2-[(2R,3Z,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-methoxy-3-oxopropyl]-16-methyl-17-oxa-3-aza-13-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,18-heptaene-19-carboxylate

分子结构分类

有机化合物 - 生物碱及其衍生物 - 柯楠因类生物碱

中文名称

——

中文别名

——

英文名称

methyl (15S,16S,20R)-11-[(2R)-2-[(2R,3Z,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-methoxy-3-oxopropyl]-16-methyl-17-oxa-3-aza-13-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,18-heptaene-19-carboxylate

英文别名

——

methyl (15S,16S,20R)-11-[(2R)-2-[(2R,3Z,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-methoxy-3-oxopropyl]-16-methyl-17-oxa-3-aza-13-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,18-heptaene-19-carboxylate化学式

CAS

——

化学式

C42H45N4O5+

mdl

——

分子量

685.8

InChiKey

QWAUBSSAJRGKPX-XLUKQCNVSA-O

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

5.6
重原子数：

51
可旋转键数：

7
环数：

9.0
sp3杂化的碳原子比例：

0.4
拓扑面积：

101
氢给体数：

2
氢受体数：

6

同类化合物

阿枯米灵阿枯明蛇根亭碱脱氧阿枯明育亨酸一水育亨酸育亨宾酸盐酸盐缝籽木蓁甲醚缝籽木蓁盐酸利舍平酸毛钩藤碱棕儿茶碱柯楠碱斯佩西亭拉兹马宁碱帽柱木碱盐酸盐去氢毛钩藤碱去氢毛钩藤碱利舍平酸二氢柯楠因 7-羟基帽柱碱 17b-氯-16a-甲基育亨宾 17-羟基-20-育亨宾-16-(N-(4-叠氮基-3-碘)苯基)甲酰胺 16alpha-甲基育亨宾 16alpha-氯甲基育亨宾-17alpha-醇 16,18-利血平二醇 16,17-二去氢-育亨宾-16-羧酸甲酯 (3beta,16beta,17alpha,18beta)-19,20-二去氢-17-甲氧基-18-((3,4,5-三甲氧基苯甲酰基)氧基)-育亨宾-16-羧酸甲酯 (3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-14-乙基-4,6,7,12-四羟基-3,5,7,9,11,13-六甲基氧杂环十四烷-2,10-二酮(non-preferredname) (+)-育亨宾 dimethyl 2-((12bS,E)-3-ethylidene-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)malonate (+)-mitragynine geissoschizine methyl ether hirsutine N4-oxide mappiodine A Einecs 234-272-9 18-Hydroxy-11,17-dimethoxyyohimban-16-carboxylic acid--hydrogen chloride (1/1) Dihydrocorynantheine hydrochloride I-Rau-papc Reserpine phosphate mitragynine 14-iso-propyl-3,4,6,7,12,12b,13,14-octahydroindolo[2',3':3,4]pyrido[1,2-a]quinolin-1(2H)-one 14-iso-propyl-3,3-dimethyl-3,4,6,7,12,12b,13,14-octahydroindolo[2',3':3,4]pyrido[1,2-a]quinolin-1(2H)-one ent-18α-hydroxy-17β-methoxy-15β-yohimban-16α-carboxylic acid (16R)-17-acetoxy-akuammilane-16-carboxylic acid methyl ester (E)-methyl 2-((2S,3S,7aS,12aR,12bS)-3-ethyl-7a-hydroxy-8-methoxy-1,2,3,4,6,7,7a,12,12a,12b-decahydroindolo[2,3-a]quinolizin-2-yl)-3-methoxyacrylate Corynantheidin φ-akuammigine pseudoakuammigine Ψ-Akuammicin

methyl (15S,16S,20R)-11-[(2R)-2-[(2R,3Z,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-methoxy-3-oxopropyl]-16-methyl-17-oxa-3-aza-13-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,18-heptaene-19-carboxylate

分子结构分类

计算性质

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