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巨大戟萜醇

巨大戟萜醇

CAS号：30220-46-3

英文名：ingenol

分子式

C20H28O5

熔点

密度

1.33g/cm3

分子量

348.433

沸点

523.8ºC at 760mmHg

溶解度

信号词

Danger

危险品标志

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化合物简介

Ingenol, is the analogue of Ingenol 3-Angelate, which has anti-tumor activity when used topically for the treatment of actinic keratosis.

基本信息

中文名称

巨大戟萜醇

英文名称

ingenol

中文别名

巨大戟醇

英文别名

(1ar,2s,5r,5ar,6s,8as,9r,10ar)-1a,2,5,5a,6,9,10,10a-octahydro-5,5a,6-trihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-1h-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-11-one、INGENOL、1A,2,5,5A,6,9,10,10A OCTAHYDRO-5,5A,6-TRIHYDROXY4(HYDROXYMETHYL)1,1,7,9-TETRAMETHYL1H-2,8 AMETHANOCYCLOPENTA[A]CYCLOPROPA[E]CYCLODECEN-11 ONE、1alpha,2,5,5alpha,6,9,10,10alpha-Octahydro-5,5alpha,6-trihydroxy-4-hydroxymethyl-1,1,7,9,-retramethyl-1H-2,8alpha-m

CAS号

30220-46-3

分子式

C20H28O5

分子量

348.433

精确质量

348.194

PSA

97.99

LOGP

0.8152

编号系统

UNII

IC77UZI9G8

物化性质

密度

1.33g/cm3

沸点

523.8ºC at 760mmHg

闪点

284.7ºC

折射率

1.625

储存条件

-20ºC

安全信息

安全说明

S26; S36

危险类别码

R38; R41

危险品标志

Xi

危险性描述

H315; H318

危险标志

GHS05

危险性防范说明

P280; P305 + P351 + P338

信号词

Danger

合成路线

共找到2条合成路线 >

二乙酰基苯甲酰基香豌豆醇

二乙酰基苯甲酰基香豌豆醇

巨大戟萜醇

巨大戟萜醇

上游原料

共找到32个上游原料 >

tert-butyl(((1R,2R)-1-((1R,2R,3R,4R,6R)-3-ethynyl-4,7,7-trimethyl-3-((trimethylsilyl)oxy)bicyclo[4.1.0]heptan-2-yl)-2-methylpenta-3,4-dien-1-yl)oxy)dimethylsilane

tert-butyl(((1R,2R)-1-((1R,2R,3R,4R,6R)-3-ethynyl-4,7,7-trimethyl-3-((trimethylsilyl)oxy)bicyclo[4.1.0]heptan-2-yl)-2-methylpenta-3,4-dien-1-yl)oxy)dimethylsilane

(1aR,1bR,2R,3R,7bR,8R,9aR)-2-((tert-butyldimethylsilyl)oxy)-1,1,3,8-tetramethyl-7b-((trimethylsilyl)oxy)-1,1a,1b,2,3,5,7b,8,9,9a-decahydro-6H-cyclopropa[3,4]benzo[1,2-e]azulen-6-one

(1aR,1bR,2R,3R,7bR,8R,9aR)-2-((tert-butyldimethylsilyl)oxy)-1,1,3,8-tetramethyl-7b-((trimethylsilyl)oxy)-1,1a,1b,2,3,5,7b,8,9,9a-decahydro-6H-cyclopropa[3,4]benzo[1,2-e]azulen-6-one

(1aR,1bR,2R,3R,4R,4aS,6S,7bR,8R,9aR)-2-((tert-butyldimethylsilyl)oxy)-1,1,3,6,8-penta-methyl-7b-((trimethylsilyl)oxy)-1,1a,1b,2,3,4,5,6,7b,8,9,9a-dodecahydro-4aH-cyclopropa[3,4]benzo[1,2-e]azulene-4,4a,6-triol

(1aR,1bR,2R,3R,4R,4aS,6S,7bR,8R,9aR)-2-((tert-butyldimethylsilyl)oxy)-1,1,3,6,8-penta-methyl-7b-((trimethylsilyl)oxy)-1,1a,1b,2,3,4,5,6,7b,8,9,9a-dodecahydro-4aH-cyclopropa[3,4]benzo[1,2-e]azulene-4,4a,6-triol

(2S,3aS,6aR,7R,8R,8bR,9aR,11R,11aR)-8-((tert-butyldimethylsilyl)oxy)-2-hydroxy-2,7,9,9,11-pentamethyl-11a-((trimethylsilyl)oxy)-2,3,6a,7,8,8a,8b,9,9a,10,11,11a-dodecahydro-cyclopropa[5',6']benzo[1',2':7,8]azuleno[3a,4-d][1,3]dioxol-5-one

(2S,3aS,6aR,7R,8R,8bR,9aR,11R,11aR)-8-((tert-butyldimethylsilyl)oxy)-2-hydroxy-2,7,9,9,11-pentamethyl-11a-((trimethylsilyl)oxy)-2,3,6a,7,8,8a,8b,9,9a,10,11,11a-dodecahydro-cyclopropa[5',6']benzo[1',2':7,8]azuleno[3a,4-d][1,3]dioxol-5-one

(1R,2R,4R,6R)-2-((1R,2R)-1-hydroxy-2-methyl-penta-3,4-dien-1-yl)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one

(1R,2R,4R,6R)-2-((1R,2R)-1-hydroxy-2-methyl-penta-3,4-dien-1-yl)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one

(3S,3aS,6aR,7R,8R,9R,9aR,10aR,12R,12aS)-8-((tert-butyldimethylsilyl)oxy)-2,7,10,10,12-pentamethyl-5,13-dioxo-6a,7,9,9a,10,10a,11,12-octahydro-3H,8H-9,12a-methanocyclopenta[1,10]cyclopropa[6,7]cyclodeca[1,2-d][1,3]dioxol-3-yl acetate

(3S,3aS,6aR,7R,8R,9R,9aR,10aR,12R,12aS)-8-((tert-butyldimethylsilyl)oxy)-2,7,10,10,12-pentamethyl-5,13-dioxo-6a,7,9,9a,10,10a,11,12-octahydro-3H,8H-9,12a-methanocyclopenta[1,10]cyclopropa[6,7]cyclodeca[1,2-d][1,3]dioxol-3-yl acetate

下游产品

共找到2个下游商品 >

巨大戟醇-3-O-当归酸酯

巨大戟醇-3-O-当归酸酯

ingenol-3-tigliate

ingenol-3-tigliate

上游原料

tert-butyl(((1R,2R)-1-((1R,2R,3R,4R,6R)-3-ethynyl-4,7,7-trimethyl-3-((trimethylsilyl)oxy)bicyclo[4.1.0]heptan-2-yl)-2-methylpenta-3,4-dien-1-yl)oxy)dimethylsilane (1aR,1bR,2R,3R,7bR,8R,9aR)-2-((tert-butyldimethylsilyl)oxy)-1,1,3,8-tetramethyl-7b-((trimethylsilyl)oxy)-1,1a,1b,2,3,5,7b,8,9,9a-decahydro-6H-cyclopropa[3,4]benzo[1,2-e]azulen-6-one (1aR,1bR,2R,3R,4R,4aS,6S,7bR,8R,9aR)-2-((tert-butyldimethylsilyl)oxy)-1,1,3,6,8-penta-methyl-7b-((trimethylsilyl)oxy)-1,1a,1b,2,3,4,5,6,7b,8,9,9a-dodecahydro-4aH-cyclopropa[3,4]benzo[1,2-e]azulene-4,4a,6-triol (2S,3aS,6aR,7R,8R,8bR,9aR,11R,11aR)-8-((tert-butyldimethylsilyl)oxy)-2-hydroxy-2,7,9,9,11-pentamethyl-11a-((trimethylsilyl)oxy)-2,3,6a,7,8,8a,8b,9,9a,10,11,11a-dodecahydro-cyclopropa[5',6']benzo[1',2':7,8]azuleno[3a,4-d][1,3]dioxol-5-one (1R,2R,4R,6R)-2-((1R,2R)-1-hydroxy-2-methyl-penta-3,4-dien-1-yl)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one (3S,3aS,6aR,7R,8R,9R,9aR,10aR,12R,12aS)-8-((tert-butyldimethylsilyl)oxy)-2,7,10,10,12-pentamethyl-5,13-dioxo-6a,7,9,9a,10,10a,11,12-octahydro-3H,8H-9,12a-methanocyclopenta[1,10]cyclopropa[6,7]cyclodeca[1,2-d][1,3]dioxol-3-yl acetate (1R,2R,3R,4R,6R)-3-ethynyl-2-((1R,2R)-1-hydroxy-2-methyl-penta-3,4-dien-1-yl)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-ol (2aS,5aR,5bR,6aS,8S,8aR,9aR,11R,11aS)-6a-(hydroxymethyl)-2,4,4,9,9,11-hexamethyl-5b,6a,8,8a,9,9a,10,11-octahydro-2aH,7H-8,11a-methanocyclopropa[5',6']oxireno[2'',3'':9',10']cyclodeca[1',2':1,5]cyclopenta[1,2-d][1,3]dioxol-12-one (3S,3aS,6aR,7S,8R,9R,9aR,10aR,12R,12aS)-8-hydroxy-2,7,10,10,12pentamethyl-5,13-dioxo-6a,7,9,9a,10,10a,11,12-octahydro-3H,8H-9,12a-methanocyclopenta[1,10]cyclopropa[6,7]cyclodeca[1,2-d][1,3 ]dioxol-3-yl acetate ((2aS,5aR,5bR,6aS,8S,8aR,9aR,11R,11aS)-2,4,4,9,9,11-hexamethyl-12-oxo-8,8a,9,9a,10,11-hexahydro-2aH,7H-8,11a-methanocyclopropa[5',6']oxireno[2'',3'':9',10']cyclodeca[1',2':1,5]cyclopenta[1,2-d][1,3]dioxol-6a(5bH)-yl)methyl methanesulfonate (R)-2-methylpenta-3,4-dien-1-al (2aS,5aS,6R,9S,9aR,10aR,12R,12aS)-6-hydroxy-2,4,4,10,10,12-hexamethyl-7-((phenylsulfonyl)methyl)-9,9a,10,10a,11,12-hexahydro-2aH,6H-9,12a-methanocyclopropa[5',6']cyclodeca[1',2':1,5]cyclopenta[1,2-d][1,3]dioxol-13-one (1S,3R,6R)-4-chloro-7,7-dimethylbicyclo[4.1.0]heptan-3-one (1aR,2S,5aS,8aR,9R,10aR)-4-(((4-methoxybenzyl)oxy)methyl)-1,1,9-trimethyl-7-methylene-1,1a,2,3,5a,7,8,9,10,10a-decahydro-6H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulene-6,11-dione (1aR,2S,5aS,8aR,9R,10aR)-7-(hydroxymethyl)-4-(((4-methoxybenzyl)oxy)methyl)-1,1,9-trimethyl-1a,2,3,5a,6,7,8,9,10,10a-decahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-11-one (2aS,5aR,5bS,6aR,8S,8aR,9aR,11R,11aS)-2,4,4,9,9,11-hexamethyl-6a-((phenylthio)methyl)-5b,6a,8,8a,9,9a,10,11-octahydro-2aH,7H-8,11a-methanocyclopropa[5',6']oxireno[2'',3'':9',10']cyclodeca[1',2':1,5]cyclopenta[1,2-d][1,3]dioxol-12-one (3aS,6aR,7R,8R,9R,9aR,10aR,12R,12aS)-8-((tert-butyldimethylsilyl)oxy)-2,7,10,10,12-pentamethyl-6a,7,9,9a,10,10a,12,12-octahydro-3H,8H-9,12a-methanocyclopenta[1,10]cyclopropa[6,7]cyclodeca[1,2-d][1,3]dioxole-5,13-dione (1aR,2S,5aS,7S,8aR,9R,10aR)-7-(1,3-dioxolan-2-yl)-4-(((4-methoxybenzyl)oxy)methyl)-1,1,9-trimethyl-1a,2,3,5a,6,7,8,9,10,10a-decahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-11-one 二乙酰基苯甲酰基香豌豆醇 cis-carane-4-one (2aS,5aR,5bS,6aR,8S,8aR,9aR,11R,11aS)-2,4,4,9,9,11-hexamethyl-6a-((phenylsulfonyl)methyl)-5b,6a,8,8a,9,9a,10,11-octahydro-2aH,7H-8,11a-methanocyclopropa[5',6']oxireno[2'',3'':9',10']cyclodeca[1',2':1,5]cyclopenta[1,2-d][1,3]dioxol-12-one (R)-2-methylpenta-3,4-dien-1-ol (+)-3-蒈烯 (1aR,2S,5aS,8aR,9R,10aR)-4-(((4-methoxybenzyl)oxy)methyl)-1,1,9-trimethyl-7-methylene-1a,2,3,5a,6,7,8,9,10,10a-decahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-11-one 巨大戟醇-5,20-缩丙酮 (1aR,1bR,2R,3R,6S,7bR,8R,9aR)-2-((tert-butyldimethylsilyl)oxy)-1,1,3,6,8-pentamethyl-7b-((trimethylsilyl)oxy)-1a,1b,2,3,5,6,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-6-ol 3,4-O-isopropylidene-20-deoxyingenol (1aR,2S,5aS,6R,8aR,9R,10aR)-6-hydroxy-4-(((4-methoxybenzyl)oxy)methyl)-1,1,9-trimethyl-7-methylene-1a,2,3,5a,6,7,8,9,10,10a-decahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-11-one (1aR,2S,5aS,8aS,9R,10aR)-4-(((4-methoxybenzyl)oxy)methyl)-1,1,7,9-tetramethyl-1,1a,2,3,5a,9,10,10a-octahydro-6H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulene-6,11-dione (1aS,1bS,4aS,5R,6aR,7aR,8S,9aS)-1b-hydroxy-9a-(((4-methoxybenzyl)oxy)methyl)-3,5,7,7-tetramethyl-1a,1b,5,6,6a,7,7a,8,9,9a-decahydro-2H-4a,8-methanocyclopenta[3,4]cyclopropa[7,8]cyclodeca[1,2-b]oxirene-2,10-dione (1aR,2S,5aR,8aS,9R,10aR)-5a-hydroxy-4-(((4-methoxybenzyl)oxy)methyl)-1,1,7,9-tetramethyl-1,1a,2,3,5a,9,10,10a-octahydro-6H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulene-6,11-dione (2aS,5aR,5bR,6aS,8S,8aR,9aR,11R,11aS)-6a-(((4-methoxybenzyl)oxy)methyl)-2,4,4,9,9,11-hexamethyl-5b,6a,8,8a,9,9a,10,11-octahydro-2aH,7H-8,11a-methanocyclopropa[5',6']oxireno[2'',3'':9',10']cyclodeca[1',2':1,5]cyclopenta[1,2-d][1,3]dioxol-12-one

下游产品

巨大戟醇-3-O-当归酸酯 ingenol-3-tigliate