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

기본 정보

표준 SMILES: CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C
InChIKey: KZJWDPNRJALLNS-UHFFFAOYSA-N
분자식: C29H50O
평균 분자량: 414.7 g/mol

개요

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.

이름 및 식별자

우선 이름: 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

이름 및 동의어

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

이름 더 보기

.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

데이터베이스 식별자

PubChem CID: 86821

물성

구조 계산 물성

XLogP: 9.3
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 6
무거운 원자 수: 30
형식 전하: 0
복잡도: 634

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