HCID304

Cholest-5-en-3-ol

10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

C27H46O386.7 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
InChIKey: HVYWMOMLDIMFJA-UHFFFAOYSA-N
分子式: C27H46O
平均分子量: 386.7 g/mol
单同位素质量: 386.35486609

COMPUTED

结构计算性质

已同步

XLogP: 8.7
极性表面积: 20.2 Å²
氢键供体: 1
氢键受体: 1
可旋转键: 5
重原子: 28
形式电荷: 0
复杂度: 591

ALIASES

名称与别名

共 39 条

CHOLESTEROL-3-13CCholesterol-25,26,27-13C3Cholest-5-en-3-ol334974-05-9335080-97-22,15-dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol2226426-17-910,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-olF1443-092214-(1,5-dimethylhexyl)-2,15-dimethyltetracyclo[8.7.0.0<2,7>.0<11,15>]heptadec- 7-en-5-ol17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olCholest-5-en-3-ol #C27H46OCholesterol, Plant-Origin3EC-Hydroxycholest-5-ene3|A-Hydroxycholest-5-ene3|?-Hydroxycholest-5-eneSCHEMBL413494CHEMBL3184306

REACTIONS

参与反应

10 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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