[(3R)-4-methyl-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] (2R)-2,6-dihydroxy-6-methyl-2-(2-oxo-2-propan-2-ylsulfanylethyl)heptanoate;[(3R)-4-methyl-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 2,6-dihydroxy-6-methyl-2-(2-oxo-2-propan-2-ylsulfanylethyl)heptanoate

分子结构分类

有机化合物 - 生物碱及其衍生物 - 三尖杉生物碱

中文名称

——

中文别名

——

英文名称

[(3R)-4-methyl-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] (2R)-2,6-dihydroxy-6-methyl-2-(2-oxo-2-propan-2-ylsulfanylethyl)heptanoate;[(3R)-4-methyl-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 2,6-dihydroxy-6-methyl-2-(2-oxo-2-propan-2-ylsulfanylethyl)heptanoate

英文别名

——

[(3R)-4-methyl-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] (2R)-2,6-dihydroxy-6-methyl-2-(2-oxo-2-propan-2-ylsulfanylethyl)heptanoate;[(3R)-4-methyl-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 2,6-dihydroxy-6-methyl-2-(2-oxo-2-propan-2-ylsulfanylethyl)heptanoate化学式

CAS

——

化学式

C62H86N2O14S2

mdl

——

分子量

1147.5

InChiKey

QHUIDXZQIQABDI-KQWDDMOPSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

8.98
重原子数：

80
可旋转键数：

22
环数：

10.0
sp3杂化的碳原子比例：

0.68
拓扑面积：

262
氢给体数：

4
氢受体数：

18

同类化合物

高三尖杉酯碱酰胺高三尖杉酯碱氧桥三尖杉碱异三尖杉酯碱双(去甲基)-脱氧三尖杉酯碱去甲基三尖杉酮碱去氧哈林通碱乙酰三尖杉碱三尖杉酯碱三尖杉酯碱三尖杉碱 4-羟基三尖杉碱 4'-去甲基高三尖杉酯碱 (1S,3aR)-1,5,6,8,9,14bbeta-六氢-2-甲氧基-4H-环戊并[a][1,3]二氧杂环戊并[4,5-H]吡咯并[2,1-b][3]苯并氮杂卓-1alpha,9alpha-二醇 (-)-脱水三尖杉酯碱 (2S,3R,4S,5S,7R)-2,3-dihydroxy-7-methyl-cephalotaxan-8-one (2R,3S,4S,5S)-2,3-dihydroxy-8-oxocephalotaxane (+/-)-D-homocephalotaxine Desmethyldiacetyl-cephalotaxin (3aα,4S*,10β,15bβ,15cα)-(+/-)-10-acetoxy-3a,4,6,7,9,10,15b,15c-octahydro-2,2-dimethyl-5H-<1,3>dioxolo<4,5-h>-1,3-dioxolo<4,5>cyclopenta<1,2-a>pyrrolo<2,1-b><3>benzazepine Cephalotaxyl 6,6-dimethyl-5,6-dihydropyran-1-carboxylate 3t-phenyl-acrylic acid (3aR)-2-methoxy-(3arC4,14bc)-1,5,6,8,9,14b-hexahydro-4H-cyclopenta[b][1,3]dioxolo[4',5':4,5]benzo[1,2-d]pyrrolo[1,2-a]azepin-1t-yl ester 6-O-(4-methylimidazole-3-carbonyl)2,6-diacetylhomoharringtonine 6-O-(2-chloropyridin-3-carbonyl)2,6-diacetylhomoharringtonine (Ξ)-methylsuccinic acid 1-((3aR)-2-methoxy-(3arC⁴,14bc)-1,5,6,8,9,14b-hexahydro-4H-cyclopenta[b][1,3]dioxolo[4',5':4,5]benzo[1,2-d]pyrrolo[1,2-a]azepin-1t-yl) ester 4-methyl ester 6-O-(phenylacetyl)2,6-diacetylhomoharringtonine 6-O-(furan-2-carbonyl)2,6-diacetylhomoharringtonine succinic acid (3aR)-2-methoxy-(3arC4,14bc)-1,5,6,8,9,14b-hexahydro-4H-cyclopenta[b][1,3]dioxolo[4',5':4,5]benzo[1,2-d]pyrrolo[1,2-a]azepin-1t-yl ester methyl ester O-3-[(2R)-2,6-dihydroxy-2-(2'-cyclohexaneamino-2'-oxoethyl)-6-methylheptanoyl]cephalotaxine (2R,7R)-17,19-dioxa-11-azapentacyclo[12.7.0.02,7.07,11.016,20]henicosa-1(21),4,12,14,16(20)-pentaen-10-one Acetic acid 6-((1aR,2aS,5aR,6S,6aS)-5-methyl-4-oxo-octahydro-1-oxa-5-aza-cyclopropa[f]inden-6-yl)-benzo[1,3]dioxol-5-ylmethyl ester (Ξ)-(3-methyl-butyl)-succinic acid 1-((3aR)-2-methoxy-(3arC⁴,14bc)-1,5,6,8,9,14b-hexahydro-4H-cyclopenta[b][1,3]dioxolo[4',5':4,5]benzo[1,2-d]pyrrolo[1,2-a]azepin-1t-yl) ester 4-methyl ester 1-O-[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R)-2-[4-methyl-4-(4-methyl-1,3-thiazole-5-carbonyl)oxypentyl]-2-(4-methyl-1,3-thiazole-5-carbonyl)oxybutanedioate 3,8-dioxocephalotax-1-ene furan-3,4-dicarboxylic acid (3aR)-2-methoxy-(3arC4,14bc)-1,5,6,8,9,14b-hexahydro-4H-cyclopenta[b][1,3]dioxolo[4',5':4,5]benzo[1,2-d]pyrrolo[1,2-a]azepin-1t-yl ester methyl ester 2α,3α-dihydroxycephalotaxan-8-one 2,3-dehydrocephalotaxan-8-one 1-O-[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R)-2-[4-(cyclohexanecarbonyloxy)-4-methylpentyl]-2-hydroxybutanedioate 2α,3α-epoxycephalotaxan-8-one [(2S,3R,4S,6S)-3-acetyloxy-9-oxo-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),13,15(19)-trien-4-yl] acetate (3-methyl-butyl)-butenedioic acid 1-((3aR)-2-methoxy-(3arC4,14bc)-1,5,6,8,9,14b-hexahydro-4H-cyclopenta[b][1,3]dioxolo[4',5':4,5]benzo[1,2-d]pyrrolo[1,2-a]azepin-1t-yl) ester 4-methyl ester benzyl ((2S,3S,3aR)-2,3-dihydroxy-2,3,5,6,8,9-hexahydro-4H-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]cyclopenta[b]pyrrolo[1,2-a]azepin-1-yl) carbonate 3t-(4-nitro-phenyl)-acrylic acid (3aR)-2-methoxy-(3arC4,14bc)-1,5,6,8,9,14b-hexahydro-4H-cyclopenta[b][1,3]dioxolo[4',5':4,5]benzo[1,2-d]pyrrolo[1,2-a]azepin-1t-yl ester (2R,3S,4S,5S)-2-(tert-butyldimethylsililoxy)-3-hydroxy-8-oxocephalotaxane

分子结构分类

计算性质

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