Stigmastan-3-ol

HCID 6743

部分構造検索類似構造を探す

基本情報

標準SMILES: CCC(CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C)C(C)C
InChIKey: LGJMUZUPVCAVPU-UHFFFAOYSA-N
分子式: C29H52O
平均分子量: 416.7 g/mol

概要

Fucostanol has been reported in Diplopterygium glaucum, Kalanchoe petitiana, and other organisms with data available.

名称と識別子

優先名称: Stigmastan-3-ol
IUPAC: 17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

名称と別名

Stigmastan-3-ol17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta(a)phenanthren-3-olRefChem:1099069Fucostanol24 alpha-ethyl-5 alpha-cholestan-3 beta-olbeta-SistostanolSCHEMBL12820619LGJMUZUPVCAVPU-UHFFFAOYSA-NNS00002846

データベース識別子

PubChem CID: 6743

物性

構造計算による物性

XLogP: 10.2
極性表面積: 20.2 Å²
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: 6
重原子数: 30
形式電荷: 0
複雑度: 583