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Card-20(22)-enolide,3-[(O-b-D-glucopyranosyl-(1®6)-O-b-D-glucopyranosyl-(1®2)-6-deoxy-3-O-methyl-a-L-glucopyranosyl)oxy]-14-hydroxy-, (3b,5b)- (9CI) | 11005-70-2


Card-20(22)-enolide,3-[(O-b-D-glucopyranosyl-(1®6)-O-b-D-glucopyranosyl-(1®2)-6-deoxy-3-O-methyl-a-L-glucopyranosyl)oxy]-14-hydroxy-, (3b,5b)- (9CI)结构式

英文名称:Card-20(22)-enolide,3-[(O-b-D-glucopyranosyl-(1®6)-O-b-D-glucopyranosyl-(1®2)-6-deoxy-3-O-methyl-a-L-glucopyranosyl)oxy]-14-hydroxy-, (3b,5b)- (9CI)
CAS:11005-70-2
分子式:C42H66O18
分子量:858.962640000001
化学结构数据:Card-20(22)-enolide,3-[(O-b-D-glucopyranosyl-(1®6)-O-b-D-glucopyranosyl-(1®2)-6-deoxy-3-O-methyl-a-L-glucopyranosyl)oxy]-14-hydroxy-, (3b,5b)- (9CI)结构式

化合物详情     化合物详情    

别名信息

中文别名:
英文别名: 3β-[[2-O-(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)-6-deoxy-3-O-methyl-α-L-glucopyranosyl]oxy]-14-hydroxy-5β,14β-card-20(22)-enolide 、THEVETIN B 、(3beta,5beta,8xi,9xi)-3-{[beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->2)-6-deoxy-3-O-methyl-beta-L-idopyranosyl]oxy}-14-hydroxycard-20(22)-enolide 、2)-6-deoxy-3-O-methyl-a-L-glucopyranosyl)oxy]-14-hydroxy-, (3b,5b)- (9CI) 、5-beta-Card-20(22)-enolide, 3-beta-((O-beta-D-glucopyranosyl-(1-6)-O-beta-D-glucopyranosyl-(1-2)-6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxy- 、6)-O-b-D-glucopyranosyl-(1&reg 、BRN 1279318 、Cerberosid 、Cerberosid [German] 、Cerberoside 、Cerbroside

物化性质 展开
计算特性

精确分子量 : 858.425

同位素质量 : 858.425

同位素原子数量 : 0

氢键供体数量 : 9

氢键受体数量 : 18

重原子数量 : 60

可旋转化学键数量 : 10

复杂度 : 1570

共价键单元数量 : 1

确定原子立构中心数量 : 23

不确定原子立构中心数量 : 0

确定化学键立构中心数量 : 0

不确定化学键立构中心数量 : 0

疏水参数计算参考值(XlogP) : _1.6

拓扑分子极性表面积 : 273A^2

实验特性

密度 : 1.1533 (rough estimate)

沸点 : 696.85°C (rough estimate)

闪点 : 298.1°C

折射率 : 1.6240 (estimate)

安全信息 展开

安全术语 : Deadly poison by intravenous and possibly other routes. When heated to decomposition it emits acrid smoke and fumes.

生产厂家     生产厂家    

Card-20(22)-enolide,3-[(O-b-D-glucopyranosyl-(1®6)-O-b-D-glucopyranosyl-(1®2)-6-deoxy-3-O-methyl-a-L-glucopyranosyl)oxy]-14-hydroxy-, (3b,5b)- (9CI)生产厂家

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