기본 정보
- CAS
71781-46-9- 표준 SMILES
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
XFDOVQPSOPEMRW-PTUOMBSASA-N- 분자식
- C31H56O4Si
- 평균 분자량
- 520.9 g/mol
- 단동위원소 질량
- 520.3947868
이름 및 식별자
- 우선 이름
- (R)-Methyl 4-((3R,5R,7R,8R,9S,10S,13R,14S,17R)-3-((tert-butyldimethylsilyl)oxy)-7-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
- IUPAC
- methyl (4R)-4-[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
- 영어명
- (R)-methyl 4-((3R,7R,8R,9S,10S,13R,14S,17R)-3-(tert-butyldimethylsilyloxy)-7-hydroxy-10,13-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
- 분자식
- C31H56O4Si
- 분자량
- 520.86
이름 및 동의어
71781-46-9(R)-Methyl 4-((3R,5R,7R,8R,9S,10S,13R,14S,17R)-3-((tert-butyldimethylsilyl)oxy)-7-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoateMFCD31536278SY486383(R)-Methyl4-((3R,5R,7R,8R,9S,10S,13R,14S,17R)-3-((tert-butyldimethylsilyl)oxy)-7-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoatemethyl (4R)-4-[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoateMethyl (R)-4-[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-3-[(tert-Butyldimethylsilyl)oxy]-7-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoateMethyl 3-O-tert-butyldimethylsilyl-chenodeoxycholateCholan-24-oic acid, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-7-hydroxy-, methyl ester, (3α,5β,7α)-
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- 극성 표면적
- 55.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 805
물리화학적 성질
- 녹는점
- 190 · 190-193 °C(Solvent: Methanol)
- 끓는 점
- 540.3 · 540.3±25.0 °C(Predicted)
- 밀도
- 1.02 · 1.02±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.76 · 14.76±0.70(Predicted)
화학 및 산업
공급사4 곳
艾琪康医药科技（上海）有限公司13661411401 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 13651849907 · [email protected]
艾琪康医药科技（上海）有限公司13512160998; 13512160998 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
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