17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-3-ol

HCID 86821

基本情報

標準SMILES: CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C
InChIKey: KZJWDPNRJALLNS-UHFFFAOYSA-N
分子式: C29H50O
平均分子量: 414.7 g/mol

概要

17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol has been reported in Tribulus, Euphorbia prostrata, and other organisms with data available.

名称と識別子

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

名称と別名

17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-3-olRefChem:1057599949109-75-5C29H50O.beta.-Sitosterin.beta.-Sitosterol.alpha.-Phytosterol.alpha.-Dihydrofucosterol(-)-.beta.-Sitosterol24.alpha.-EthylcholesterolStigmast-5-en-3.beta.-ol

名称をさらに表示

.DELTA.5-Stigmasten-3.beta.-ol(24R)-Stigmast-5-en-3.beta.-ol(3.beta.)-Stigmast-5-en-3-ol #Stigmast-5-en-3-ol, (3.beta.)-(24R)-Ethylcholest-5-en-3.beta.-ol5-Cholesten-24.beta.-ethyl-3.beta.-olSCHEMBL3963390ZMB10975

データベース識別子

PubChem CID: 86821

物性

構造計算による物性

XLogP: 9.3
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: 634

実験および物理化学的性質

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化合物ノート

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