名称和标识符别名信息物化性质安全信息专业数据库参考

5α-孕烷-3β-醇-20-酮3β-乙酸酯 | 906-83-2

5α-孕烷-3β-醇-20-酮3β-乙酸酯结构式图片|906-83-2结构式图片

中文名称： 5α-孕烷-3β-醇-20-酮3β-乙酸酯

英文名称： 5α-Pregnan-3β-ol-20-one 3β-Acetate

CAS No.： 906-83-2

分子式： C₂₃H₃₆O₃

分子量： 360.53014

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：5α-孕烷-3β-醇-20-酮3β-乙酸酯结构式

MSDS： 5α-孕烷-3β-醇-20-酮3β-乙酸酯MSDS

PubChem CID： 227113

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5α-孕烷-3β-醇-20-酮3β-乙酸酯的其他展现形式

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名称和标识符

InChIKey	GFHOQCXDABGYAL-POBGKJHXSA-N
Inchi	InChI=1S/C23H36O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h16-21H,5-13H2,1-4H3/t16-,17-,18-,19+,20-,21-,22-,23+/m0/s1
SMILES	CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C)C)C

别名信息

- 中文别名 -

别孕烯醇酮醋酸酯
别孕烯醇酮醋酸酯

- 英文别名 -

Pregnan-20-one,3-(acetyloxy)-, (3b,5a)-
5ALPHA-PREGNAN-3BETA-OL-20-ONE-3BETA-ACETATE CRYSTALLINE
5α-Pregnan-3β-ol-20-one 3β-Acetate
Allopregnan-3.β.-ol-20-one acetate
ALLOPREGNANOLONE ACETATE

(3S,5S,10S,13S,17S)-17-acetyl-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE ACETATE
5ALPHA-PREGNAN-3BETA-OL-20-ONE 3-ACETATE
5ALPHA-PREGNAN-3BETA-OL-20-ONE 3BETA-ACETATE
5A-pregnan-3B-ol-20-one 3B-acetate
allopregnan-3beta-ol-20-one 3beta-acetate
EPIALLOPREGNANOLONE ACETATE
D86925
D86925
Pregnan-3-.beta.-acetoxy-20-one
Pregnan-3-.beta.-acetoxy-20-one
5
5
NSC18318
NSC18318
5-Pregnan-3-ol-20-one 3-acetate
5-Pregnan-3-ol-20-one 3-acetate
3beta-Acetoxy-5alpha-pregnan-20-one
3beta-Acetoxy-5alpha-pregnan-20-one
SCHEMBL643029
SCHEMBL643029
5alpha-Pregnan-3beta-ol-20-one 3beta-acetate
5alpha-Pregnan-3beta-ol-20-one 3beta-acetate
CHEBI:79918
CHEBI:79918
A-acetate
A-acetate
[(3S,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
[(3S,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
NSC-18318
NSC-18318
Pregnan-20-one, 3-(acetyloxy)-, (3.beta.,5.alpha.)-
Pregnan-20-one, 3-(acetyloxy)-, (3.beta.,5.alpha.)-
Allopregnan-3.beta.-ol-20-one acetate
Allopregnan-3.beta.-ol-20-one acetate
A-Pregnan-3
A-Pregnan-3
5.alpha.-Pregnan-20-one, acetate
5.alpha.-Pregnan-20-one, acetate
3beta-Hydroxy-5alpha-pregnan-20-one acetate
3beta-Hydroxy-5alpha-pregnan-20-one acetate
WS-01470
WS-01470
(3S,5S,8R,9S,10S,13S,14S,17S)-17-Acetyl-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
(3S,5S,8R,9S,10S,13S,14S,17S)-17-Acetyl-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
20-OXO-5-BETA-PREGNAN-3-BETA-YL ACETATE
20-OXO-5-BETA-PREGNAN-3-BETA-YL ACETATE
Q27149082
Q27149082
906-83-2
906-83-2
A-ol-20-one 3
A-ol-20-one 3
5alpha-Pregnan-3beta-ol-20-one 3beta-acetate, >=98%
5alpha-Pregnan-3beta-ol-20-one 3beta-acetate, >=98%
3.beta.-Acetoxy-5.alpha.-pregnan-20-one
3.beta.-Acetoxy-5.alpha.-pregnan-20-one
5.alpha.-Pregnan-20-one, 3.beta.-hydroxy-, acetate
5.alpha.-Pregnan-20-one, 3.beta.-hydroxy-, acetate
5.alpha.-Pregnan-3.beta.-ol-20-one, acetate
5.alpha.-Pregnan-3.beta.-ol-20-one, acetate
20-Oxopregnan-3-yl acetate #
20-Oxopregnan-3-yl acetate #

物化性质

实验特性

LogP	5.16600
PSA	43.37000
折射率	1.521
沸点	443.7°Cat760mmHg
闪点	189.4°C
密度	1.07

计算特性

精确分子量	360.26600
氢键供体数量	0
氢键受体数量	3
可旋转化学键数量	3
同位素质量	360.266
重原子数量	26
复杂度	598
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）	5.4
拓扑分子极性表面积	43.4Å²