기본 정보
- CAS
112670-78-7- 표준 SMILES
C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]23)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O- InChIKey
QAGNTHOJEGTRBR-DQAADWALSA-N- 분자식
- C34H58O2Si
- 평균 분자량
- 526.9 g/mol
- 단동위원소 질량
- 526.42060762
이름 및 식별자
- 우선 이름
- (1S,5R,E)-5-(tert-butyldimethylsilyloxy)-3-((E)-2-((1R,3aS,7aR)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-7a-methyldihydro-1H-inden-4(2H,5H,6H,7H,7aH)-ylidene)ethylidene)-2-Methylenecyclohexanol
- IUPAC
- trans-(1S,3E,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexan-1-ol
- 영어명
- (1S,5R,E)-5-(tert-butyldiMethylsilyloxy)-3-((E)-2-((1R,3aS,7aR)-1-((2R,5R,E)-5,6-diMethylhept-3-en-2-yl)-7a-Methyldihydro-1H-inden-4(2H,5H,6H,7H,7aH)-ylidene)ethylidene)-2-Methylenecyclohexanol
- 분자식
- C34H58O2Si
- 분자량
- 526.91
이름 및 동의어
112670-78-7(1S,5R,E)-5-(tert-butyldimethylsilyloxy)-3-((E)-2-((1R,3aS,7aR)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-7a-methyldihydro-1H-inden-4(2H,5H,6H,7H,7aH)-ylidene)ethylidene)-2-Methylenecyclohexanol(1S,3E,5R)-3-[(2E)-2-[(1R,3As,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexan-1-ol(1S,3E,5R)-5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methylene-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]-cyclohexanolC34H58O2SiSCHEMBL7153800MFCD18642714AKOS037650725CS-15224CS-0005941(1S,3E,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylene-cyclohexanol9,10-Secoergosta-5,7,10(19),22-tetraen-1-ol,3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (1a,3b,5E,7E,22E)-
물성
구조 계산 물성
- 극성 표면적
- 29.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 901
물리화학적 성질
- 끓는 점
- 568.6 · 568.6±50.0 °C(Predicted)
- 밀도
- 0.96 · 0.96±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.36 · 14.36±0.40(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
화학 및 산업
응용 분야
용도(1S,3E,5R)-5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methylene-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]-cyclohexanol is an intermediate used in the synthesis of ZK 159222 (Z485800), which is a vitamin D receptor antagonist; it is a derivative of Vitamin D3 (V676045).
공급사7 곳
湖南嘉航医药科技有限公司85521272 18229978283 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
山东博洛达生物科技有限公司0531-68651502 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
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