名称和标识符别名信息物化性质相关文献专业数据库参考化合物详情（旧版）

胆甾醇硫酸盐 | 1256-86-6

中文名称：胆甾醇硫酸盐

英文名称： Cholesterol sulfate

CAS No.： 1256-86-6

分子式： C₂₇H₄₆O₄S

分子量： 466.71674

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：胆甾醇硫酸盐结构式

下载该化合物MOL文件：胆甾醇硫酸盐MOL

PubChem CID： 65076

快速询单

胆甾醇硫酸盐的其他展现形式

相关化合物

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Stigmast-5-en-3-ol,3-(hydrogen sulfate), (3b)-

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Cholesta-5,7-dien-3-ol,hydrogen sulfate, (3b)- (9CI)

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127565-97-3

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Cyclohexanol,3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-,1-(hydrogen sulfate), (1S,3Z)-

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名称和标识符

InChIKey	BHYOQNUELFTYRT-UHFFFAOYSA-N
Inchi	1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21?,22+,23-,24+,25+,26+,27-/m1/s1
SMILES	S(OC1CCC2(C)C(=CCC3C2CCC2(C)C3CCC2C(C)CCCC(C)C)C1)(O)(=O)=O

别名信息

- 中文别名 -

胆甾醇硫酸盐
硫酸胆固醇
硫酸胆固醇酯

- 英文别名 -

Cholesterol sulfate
(3beta)-Cholest-5-en-3-ol hydrogen sulfate
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
CHOLESTERYL SULFATE
Cholest-5-en-3beta-ol sulfate

CHOLEST-5-EN-3-YL HYDROGEN SULFATE
cholestenol
Cholesterol 3-sulfate
Cholesterol sulfic acid
cholesterol sulphate
Chol-sulf
CHOLESTEROL-SULFATE
CHEMBL1231592
Cholesterol, hydrogen sulfate (7CI,8CI)
NSC628320
GTPL2738
Cholesterol hydrogen sulfate
5-Cholesten-3b-yl sulphate
5-Cholesten-3beta-ol sulfate sodium salt
SCHEMBL161397
CHOLESTEROL, HYDROGEN SULFATE
C18043
5-CHOLESTEN-3.BETA.-YL SULFATE
HMDB00653
CHOLEST-5-EN-3.BETA.-OL SULFATE
DTXSID401016822
Cholesteryl sodium sulfate
cholest-5-en-3beta-yl hydrogen sulfate
5-Cholesten-3b-yl sulfate
LMST05020016
Y5-Cholesten-3beta-yl sulfate
(3alpha,8alpha,17alpha)-cholest-5-en-3-yl hydrogen sulfate
Q27075985
CCRIS 7559
Cholest-5-en-3b-ol sulfate
Cholesteryl sulfate
Cholest-5-en-3b-ol sulphate
cholest-5-en-3-ol, hydrogen sulfate, (3beta)-
Cholest-5-en-3-ol (3.beta.)-, hydrogen sulfate
KU576NT9O9
Cholesterol 3-sulphate
CHEBI:41321
Cholesteryl sulfate sodium salt
UNII-KU576NT9O9
1256-86-6
Cholest-5-en-3-ol (3beta)-, hydrogen sulfate
Cholesterol hydrogen sulphate
bmse000961
NS00120400
[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
BHYOQNUELFTYRT-DPAQBDIFSA-N
DB01990
C3S
Cholest-5-en-3-ol (3beta)-, hydrogen sulfate (9CI)
CMC_13400
cholesteryl sulphate
C9523_SIGMA

物化性质

实验特性

LogP	8.29660
PSA	71.98000

计算特性

精确分子量	466.31200
氢键供体数量	1
氢键受体数量	4
可旋转化学键数量	7
同位素质量	466.31168112g/mol
重原子数量	32
复杂度	812
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）	8.2
拓扑分子极性表面积	72Å²

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