[(1S,9S,10R,12S,13R,14R,16R,18S)-13-ethyl-14-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-yl] 3,4,5-trimethoxybenzoate

分子结构分类

有机化合物 - 生物碱及其衍生物 - 可吗灵-沙巴秦生物碱

中文名称

——

中文别名

——

英文名称

[(1S,9S,10R,12S,13R,14R,16R,18S)-13-ethyl-14-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-yl] 3,4,5-trimethoxybenzoate

英文别名

——

[(1S,9S,10R,12S,13R,14R,16R,18S)-13-ethyl-14-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-yl] 3,4,5-trimethoxybenzoate化学式

CAS

——

化学式

C₃₀H₃₆N₂O₆

mdl

——

分子量

520.6

InChiKey

JCRQPLRRHXVYJF-GJSXNFGFSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

4
重原子数：

38
可旋转键数：

7
环数：

8.0
sp3杂化的碳原子比例：

0.57
拓扑面积：

80.7
氢给体数：

1
氢受体数：

8

同类化合物

霹雳萝芙因阿吗定阿义马林阿义马-17(R),21alpha-二醇,化合物与1-溴丙烷(1:1) 重酒石酸普拉马林重酒石酸地他义铵萝芙木明碱萝卡辛; 吐楞宁 beta-D-吡喃葡萄糖甙普拉马林吐楞宁化合物 T25312 劳拉义明 2(1H)-喹喔啉酮,3,4-二氢-7-甲基-3-亚甲基- (2xi,19E)-阿义马-19-烯-17-基3,4,5-三甲氧基苯甲酸酯 (17S,21-alpha)-10-溴-阿义马-17,21-二醇(R-(R*,R*))-2,3-二羟基丁烷二酸酯(1:1)(盐) (17R,21-alpha)-10-溴-17,21-二羟基-4-丙基-阿义马鎓盐与(R-(R*,R*))-2,3-二羟基丁二酸(1:1) (+-)-2-(1-甲基-2-吡咯烷基)-吡啶 (+)-异阿义马林 O-Acetyl-10-brom-2-hydroxy-seredamin O-Acetyl-N(a)-demethylseredamin O-Acetyl-O'-demethyl-seredamin O-acetyl-seredamine 17,21-bis-benzyloxy-ajmalane 10-Nitroajmalin 17-(2-chloro-benzoyloxy)-ajmalan-21-ol Norajmalinacetat Ajmalin, Theophyllin-7-essigsaeure [(1R,9R,10S,12R,13S,14R,16S,17S,18R)-13-ethyl-14-hydroxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-yl] acetate (+)-(2α,17R,19E)-19,20-didehydro-17-hydroxyajmalan-16-methanol (R)-3-Ethyl-4,8-dihydroxy-5-(2-hydroxy-3-isopropylamino-propyl)-13-methyl-1,3,4,7,8,13,13a,13b-octahydro-2H,6H-2,7-cyclo-6,8a-methano-pyrido[1',2':1,2]azepino[3,4-b]indol-5-ium Mavacurine 3-Ethyl-4,8-dihydroxy-5-[2-hydroxy-3-(naphthalen-1-yloxy)-propyl]-13-methyl-1,3,4,7,8,13,13a,13b-octahydro-2H,6H-2,7-cyclo-6,8a-methano-pyrido[1',2':1,2]azepino[3,4-b]indol-5-ium 12-methoxy-ajmalane-17,21-diol 5-Benzyl-3-ethyl-4,8-dihydroxy-13-methyl-1,3,4,7,8,13,13a,13b-octahydro-2H,6H-2,7-cyclo-6,8a-methano-pyrido[1',2':1,2]azepino[3,4-b]indol-5-ium; bromide 3-Ethyl-4,8-dihydroxy-5-(2-hydroxy-3-isopropoxy-propyl)-13-methyl-1,3,4,7,8,13,13a,13b-octahydro-2H,6H-2,7-cyclo-6,8a-methano-pyrido[1',2':1,2]azepino[3,4-b]indol-5-ium Norajmaline dihydrochloride succinic acid 21-hydroxy-ajmalan-17-yl ester methyl ester (R)-5-(3-Cyclohexylamino-2-hydroxy-propyl)-3-ethyl-4,8-dihydroxy-13-methyl-1,3,4,7,8,13,13a,13b-octahydro-2H,6H-2,7-cyclo-6,8a-methano-pyrido[1',2':1,2]azepino[3,4-b]indol-5-ium Desacetylmajoridin (5aR,6S,8S,9S,10S,11aR,12R)-8-(2-methoxyethyl)-5-methyl-13-pivaloyl-5,5a,6,7,8,9,10,11-octahydro-6,10-epimino-9,11a-methanocycloocta[b]indol-12-yl acetate (5aS,6S,8S,9S,10S,11aR,12R)-8-(2-methoxyethyl)-5-methyl-13-pivaloyl-5,5a,6,7,8,9,10,11-octahydro-6,10-epimino-9,11a-methanocycloocta[b]indol-12-yl acetate diacetyl isoajmaline O,O'-dimethyl-C-calebassin; diiodide (21Ξ)-19-methyl-12,13-didehydro-12,24;16,19-diseco-strychnidin-16ξ-ol Di-O-chloracetyl-ajmalin-methoiodid Purpelin (17R)-17-hydroxy-4,21-seco-ajmalane-21-nitrile (17R)-4,20-seco-21-nor-ajmalan-17-ol O-(3-Amino-benzoyl)-ajmalin Einecs 266-170-5

[(1S,9S,10R,12S,13R,14R,16R,18S)-13-ethyl-14-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-yl] 3,4,5-trimethoxybenzoate

分子结构分类

计算性质

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