5856-10-0 ((8R,9s,10s,13s,14s)-10,13-二甲基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-四十氢-1H-环戊并[a]菲-3,17-二醇,5β-Androstane-3α,17α-diol)

快速询单

结构式：

(8R,9s,10s,13s,14s)-10,13-二甲基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-四十氢-1H-环戊并[a]菲-3,17-二醇MOL文件

CAS号：

5856-10-0

中文名称：

(8R,9s,10s,13s,14s)-10,13-二甲基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-四十氢-1H-环戊并[a]菲-3,17-二醇

英文名称：

5β-Androstane-3α,17α-diol

分子式：

C₁₉H₃₂O₂

分子量：

292.456186294556

(8R,9s,10s,13s,14s)-10,13-二甲基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-四十氢-1H-环戊并[a]菲-3,17-二醇(5856-10-0)名称与标识符

名称

中文别名：

(8R,9s,10s,13s,14s)-10,13-二甲基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-四十氢-1H-环戊并[a]菲-3,17-二醇;

英文别名：

(8R,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol;3.ALPHA.,17.ALPHA.-DIHYDROXY-5.BETA.-ANDROSTANE;5beta-androstane-3alpha,17alpha-diol;5AZ365M0JX;5856-10-0;Androstane-3,17-diol, (3alpha,5beta,17alpha)-;ANDROSTANE-3,17-DIOL, (3.ALPHA.,5.BETA.,17.ALPHA.)-;Q27261765;UNII-5AZ365M0JX;5I(2)-Androstane-3I+/-,17I+/--diol;3a,17a-Dihydroxy-5b-androstane;3?,17?-Dihydroxy-5?-Androstane; (3?,5?,17?)-Androstane-3,17-diol;5?-ANDROSTANE-3?,17?-DIOL;CHEBI:229004;(3R,5R,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol;5.BETA.-ANDROSTANE-3.ALPHA.,17.ALPHA.-DIOL;DTXSID201312545;3alpha,17alpha-Dihydroxy-5beta-androstane;LMST02020093;

标识符

InChIKey：

CBMYJHIOYJEBSB-UHFFFAOYSA-N

Inchi：

1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3

SMILES：

CC12C(O)CCC1C1CCC3C(C1CC2)(C)CCC(O)C3

(8R,9s,10s,13s,14s)-10,13-二甲基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-四十氢-1H-环戊并[a]菲-3,17-二醇(5856-10-0)物化性质

计算特性

精确分子量 : 292.240230259g/mol
氢键供体数量 : 4
氢键受体数量 : 10
可旋转化学键数量 : 6
同位素质量 : 292.240230259g/mol
重原子数量 : 30
复杂度 : 300
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 1
确定化学键立构中心数量 : 2
不确定化学键立构中心数量 : 0
共价键单元数量 : 3
疏水参数计算参考值（XlogP） : 无
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 40.5Å²

(8R,9s,10s,13s,14s)-10,13-二甲基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-四十氢-1H-环戊并[a]菲-3,17-二醇(5856-10-0)推荐厂家更多厂家(1)

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上海维亦特生物科技有限公司	15317051735	赵静	2033721411		询单

(8R,9s,10s,13s,14s)-10,13-二甲基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-四十氢-1H-环戊并[a]菲-3,17-二醇(5856-10-0)相关文献

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(8R,9s,10s,13s,14s)-10,13-二甲基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-四十氢-1H-环戊并[a]菲-3,17-二醇(5856-10-0)参考资料

Reaxys RN：

PubChem CID：

9965876

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