5alpha-雄烷二醇 | 571-20-0
中文名称:
5alpha-雄烷二醇
英文名称:
5alpha-Androstane-3b,17b-diol
CAS No.:
571-20-0
分子式:
C1 9 H3 2 O2
分子量:
292.45618
名称和标识符
MDL
MFCD00064140
InChIKey
CBMYJHIOYJEBSB-YSZCXEEOSA-N
Inchi
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/t12-,13-,14-,15-,16-,17-,18-,19-/m0/s1
SMILES
C[C@@]12CC[C@@H](C[C@@H]2CC[C@H]3[C@@H]4CC[C@@H]([C@@]4(C)CC[C@@H]31)O)O
别名信息
- 中文别名 -
5alpha-雄烷二醇
17β-二羟基表雄酮标准品
5A-雄烷二醇
5α-雄烷二醇
5α-雄甾烷-3β,17β-二醇
- 英文别名 -
5alpha-Androstane-3b,17b-diol
3b,17b-Dihydroxy-5a-androstane
5a-Androsten-3b,17b-diol
5α-Androstane-3β,17β-diol
(3S,5S,8R,9S,10S,13S,14S,17S)-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
5alpha-androstane-3beta,17beta-diol
Maxterone
3beta,17beta-Dihydroxy-5alpha-androstane
DB03882
CHEBI:18329
EINECS 209-334-3
5alpha-Androstan-3beta,17beta-diol
(3beta,5alpha,17beta)-androstane-3,17-diol
3.beta.,17.beta.-Dihydroxy-5.alpha.-androstane
BRN 2559488
5.alpha.-Androstane-3.beta.,17.beta.-diol
NSC 50891
W-105485
3beta androstanediol
LMST02020053
SCHEMBL867704
3.BETA.-ANDROSTANEDIOL
Androstane-3,17-diol, (3.beta.,5.alpha.,17.beta.)-
PD007158
(3alpha,5beta,8alpha,17beta)-androstane-3,17-diol
Androstane-3,17-diol #
TQP0570
UNII-6J0K4253QD
BDBM50474606
NS00067929
Androstane-3,17-diol, (3beta,5alpha,17beta)-
Q4641516
3-beta,17-beta-Dihydroxy-5-alpha-androstane
571-20-0
3b,17b-Androstanediol
AKOS015964921
Androstanediol
5a-an-drostane-3b,17b-diol
5-alpha-androstan-3beta,17beta-diol
5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL
Androstan-3beta,17beta-diol
CHEMBL316048
3beta,17beta-Androstanediol
3-beta,17-beta-Androstanediol
NSC-50891
Androstane-3,17-diol, (3-beta,5-alpha,17-beta)-
(3S,5S,8R,10S,13S,17S)-10,13-Dimethyl-hexadecahydro-cyclopenta[a]phenanthrene-3,17-diol
3beta,17beta-Androstanediol (VAN)
3beta-androstanediol
3.beta.,17.beta.-Androstanediol
5alpha-Androstane-3beta,17beta-diol
MAXTERONE
5-alpha-ANDROSTANE-3-beta,17-beta-DIOL
BIDD:ER0165
Androstane-3, (3.beta.,5.alpha.,17.beta.)-
(3.beta.,5.alpha.,17.beta.)-Androstane-3,17-diol
4-06-00-06096 (Beilstein Handbook Reference)
DTXSID8022379
3.BETA.-ADIOL
6J0K4253QD
(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
NSC50891
物化性质
实验特性
LogP
3.75090
PSA
40.46000
折射率
1.4709 (estimate)
沸点
374.38°C (rough estimate)
颜色与性状
Powder
溶解性
未确定。
密度
1.0164 (rough estimate)
计算特性
精确分子量
292.24000
氢键供体数量
2
氢键受体数量
2
可旋转化学键数量
0
同位素质量
292.240230259g/mol
重原子数量
21
复杂度
422
同位素原子数量
0
确定原子立构中心数量
8
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
共价键单元数量
1
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
40.5Ų
相关文献
1.
Regioselectivity in the Hydroboration of Steroidal
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2.
Regio- and Stereo-chemical Effects in the Hydroboration ofΔ2
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James R. Hanson,Mansur D. Liman,Sivajini Nagaratnam -Steroidal Allylic and HomoallylicAlcohols?. James R. Hanson Mansur D. Liman Sivajini Nagaratnam J. Chem. Res. (S) 1997 282
3.
Some applications of chromatography to steroid analysis in the horse
Edward Houghton,Minoo C. Dumasia,Philip Teale Analyst 1988 113 1179
4.
Selectively functionalized cyclodextrins and their metal complexes
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6.
Modulation of estrogen synthesis and metabolism by phytoestrogens in vitro and the implications for women's health
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7.
Selectivity enhancement in functionalization of C–H bonds: A review
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8.
Selectivity enhancement in functionalization of C–H bonds: A review
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9.
Abstracts of papers published in other journals. Biochemical
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