(3베타,24S)-스티그마스트-5-엔-3-올
gamma-Sitosterol
기본 정보
- CAS
83-47-6- 표준 SMILES
CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C- InChIKey
KZJWDPNRJALLNS-FBZNIEFRSA-N- 분자식
- C29H50O
- 평균 분자량
- 414.7 g/mol
- 단동위원소 질량
- 414.38616621
개요
Clionasterol is a member of the class of phytosterols that is poriferast-5-ene carrying a beta-hydroxy substituent at position 3. It has a role as a marine metabolite and a plant metabolite. It is a 3beta-hydroxy-Delta(5)-steroid, a member of phytosterols and a 3beta-sterol. It derives from a hydride of a poriferastane.
이름 및 식별자
- 우선 이름
- gamma-Sitosterol
- IUPAC
- (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-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
- 현지명
- (3베타,24S)-스티그마스트-5-엔-3-올
- 영어명
- (3beta,24S)-stigmast-5-en-3-ol
- 분자식
- C29H50O
- 분자량
- 414.71
이름 및 동의어
ClionasterolGAMMA-SITOSTEROL83-47-6beta-Dihydrofucosterol22,23-Dihydroporiferasterol24beta-EthylcholesterolPoriferast-5-en-3beta-ol(24S)-stigmast-5-en-3beta-ol(3beta,24S)-Stigmast-5-en-3-ol5LI01C78DD24-ethylcholest-5-en-3 beta-olStigmast-5-en-3-ol, (3beta,24S)-
이름 더 보기
(3베타,24S)-스티그마스트-5-엔-3-올g-SitosterolEinecs 201-481-1(24S)-Stigmast-5-en-3β-ol(3b,24S)-stigmast-5-en-3-olStigmast-5-en-3-ol, (3b,24S)-Stigmast-5-en-3-ol, (3β,24S)-
CHEBI:13282324S-Ethylcholest-5-en-3beta-olDTXSID801015721(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-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-ol3beta-Sitosterol(3S,8S,9S,10R,13R,14S,17R)-17-((2R,5S)-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:6396043beta-stigmast-5-en-3-ol
물성
구조 계산 물성
- XLogP
- 9.3
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 634
실험 및 물리화학적 성질
LipidsLipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Stigmasterols and C24-ethyl derivatives [ST0104]
Melting Point147 °C
Physical DescriptionSolid
물리화학적 성질
- 끓는 점
- 473.52 °C · 473.52°C (rough estimate)
- 밀도
- 0.954 · 0.9540 (rough estimate)
- 굴절률
- 1.5 · 1.5000 (estimate)
- 녹는점
- 147 °C · 147 °C
- 산도 계수 (pKa)
- 15.03 · 15.03±0.70(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationStigmast-5-en-3-ol, (3.beta.,24S)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationSubstances that lower the levels of certain LIPIDS in the BLOOD. They are used to treat HYPERLIPIDEMIAS.
Cellular LocationsExtracellular
관련 반응
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