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기본 정보
- CAS
83-48-7- 표준 SMILES
CC[C@H](/C=C/[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
HCXVJBMSMIARIN-PHZDYDNGSA-N- 분자식
- C29H48O
- 평균 분자량
- 412.702 g/mol
- 단동위원소 질량
- 412.37051616
이름 및 식별자
- 우선 이름
- Stigmasterol
- IUPAC
- (22E)-Stigmasta-5,22-dien-3beta-ol
- 현지명
- 스티그마스테롤
- 영어명
- Stigmasterol
- 분자식
- C29H48O
- 분자량
- 412.69
이름 및 동의어
스티그마스테롤PHYTOSTEROLSTIGMASTERINbeta-Stigmasterol(3S,8S,9S,10R,13R,14S,17R)-17-((2R,5S,E)-5-Ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol201-482-7I-StigmasterolStigmasterol,95%17-(5-ethyl-6-methyl-hept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olStigNSC 8095
데이터베이스 식별자
- CAS
83-48-7- PubChem CID
- 5280794
- DTXSID
DTXSID801015733- ChEMBL
CHEMBL400247- ChEBI
CHEBI:28824- UNII
- 99WUK5D0Y8
- EC Number
- 201-482-7
- Nikkaji
- J4.635C
물성
물리화학적 성질
- 녹는점
- 165 · 165-167 °C (lit.)
- 끓는 점
- 472.07 °C · 472.07°C (rough estimate)
- 밀도
- 0.9639 · 0.9639 (rough estimate)
- 굴절률
- 1.5 · 1.5000 (estimate)
- 저장 조건
- -20 °C · -20°C
- 용해도
- 50 mg/ml · 클로로포름: 용해성50mg/ml
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 15.03 · 15.03±0.70(Predicted)
- 색상
- 하얀색
- 수용성
- 불용성
- Merck
- 14 · 14,8815
- BRN
- 2568182 · 2568182
- Henry's Law Constant
- 3.8 · 3.8×10-2 mol/(m3Pa) at 25℃, HSDB (2015)
- InChIKey
- HCXVJBMSMIARIN-PHZDYDNGSA-N
- SMILES
- [H][C@@]12[C@]([C@](CC[C@H](O)C3)(C)C3=CC2)([H])CC[C@@]4(C)[C@@]1([H])CC[C@]4([H])[C@]([H])(C)/C=C/[C@@H](CC)C(C)C
- LogP
- 10.072 · 10.072 (est)
- NIST
- Stigmasterol(83-48-7)
- EPA
- Stigmasterol (83-48-7)
화학적 성질
white powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- rtecs
- WJ2447500
- ridadr
- UN 1888 6.1/PG 3
- HS 번호
- 29309070
- risk_code
- 22-38-40-48/20/22-36/37/38-67-36/38-20-63
- hazard_code
- Xn,Xi
- safety_code
- 22-24/25-36/37-36-26
- 스토리지 클래스
- 11 - Combustible Solids
- 유해 물질 데이터
- 83-48-7(Hazardous Substances Data)
화학 및 산업
응용 분야
개요Stigmasterol is a natural plant sterol that can be isolated from certain seed oils and herbs, including those used for therapeutic purposes. Dietary consumption of phytosterols, including stigmasterol, may have beneficial health effects in adults, particularly against cancer and ulceration. Alternatively, phytosterols may contribute to inflammation and intestinal failure-associated liver disease in young individuals.
용도Stigmasterol has been used as a phytosterol compound to test its anti-proliferative property in breast cancer cell culture and its effect on liver X receptor-α (LXRA) activation. It may be used as an internal standard for the quantification of yeast cell wall sterols using gas chromatography–mass spectrometry (GC-MS) analysis, and in the preparation of lipid monolayers.
일반 설명Stigmasterol is a plant sterol that comprises an unsaturated bond between C22 and C23. It is found in foods like margarines and yogurts. Stigmasterol is synthesized from the mevalonate pathway and is present during development stages in plants.
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공급사100 곳
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