2,15-Dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol
基本情報
- 標準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
- 単同位体質量
- 386.35486609
概要
epicholestrol has been reported in Meyerozyma guilliermondii, Glycine max, and other organisms with data available.
名称と識別子
- 優先名称
- 2,15-Dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol
- IUPAC
- 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
名称と別名
CHOLESTEROL-3-13CCholesterol-25,26,27-13C3Cholest-5-en-3-olepicholestrol334974-05-9335080-97-22,15-dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol2226426-17-9MFCD0066991610,13-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-olF1443-092214-(1,5-dimethylhexyl)-2,15-dimethyltetracyclo[8.7.0.0<2,7>.0<11,15>]heptadec- 7-en-5-ol
名称をさらに表示
17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-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-olCholest-5-en-3-ol #C27H46OCHOLESTEROLCPCHOLESTEROLNFCHOLESTEROL NFCHOLEST5EN3OL
データベース識別子
- PubChem CID
- 304
- ChEMBL
CHEMBL3184306
物性
構造計算による物性
- XLogP
- 8.7
- 極性表面積
- 20.2 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 5
- 重原子数
- 28
- 形式電荷
- 0
- 複雑度
- 591
関連反応
10 件
化合物ノート
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