Homopravastatin Lactone Di-(tert-butyldimethylsilyl) Ether
기본 정보
- CAS
159224-68-7- 표준 SMILES
CCC[C@H](C)C(=O)O[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]21- InChIKey
KVVLTROOHMLHLQ-RUDOQXHYSA-N- 분자식
- C36H64O6Si2
- 평균 분자량
- 649.1 g/mol
- 단동위원소 질량
- 648.42414283
이름 및 식별자
- 우선 이름
- Homopravastatin Lactone Di-(tert-butyldimethylsilyl) Ether
- IUPAC
- [(1S,3S,7S,8S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-8-[2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylpentanoate
- 영어명
- 2-Methyl-pentanoic Acid [1S-[1α(R*),3β,7β,8β(2S*,4S*),8aβ]]-3-[[(1,1-DiMethylethyl)diMethylsilyl]oxy]-8-[2-[4-[[(1,1-diMethylethyl)diMethylsilyl]oxy]tetrahydro-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydro-7-Methyl-1-naphthalenyl Ester
- 분자식
- C36H64O6Si2
- 분자량
- 649.06
이름 및 동의어
159224-68-7Homopravastatin Lactone Di-(tert-butyldimethylsilyl) Ether[(1S,3S,7S,8S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-8-[2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylpentanoateKVVLTROOHMLHLQ-RUDOQXHYSA-NSCHEMBL9204743DTXSID30708406(1S,3S,7S,8S,8aR)-3-{[tert-Butyl(dimethyl)silyl]oxy}-8-{2-[(2R,4R)-4-{[tert-butyl(dimethyl)silyl]oxy}-6-oxooxan-2-yl]ethyl}-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylpentanoate(1S,3S,7S,8S,8aR)-3-{[tert-Butyldi(methyl)silyl]oxy}-8-{2-[(2R,4R)-4-{[tert-butyldi(methyl)silyl]oxy}-6-oxooxan-2-yl]ethyl}-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylpentanoate(4R,6R)-6-{2-[(1S,2S,6S,8S,8aR)-1,2,6,7,8,8a-Hexahydro-6-t-butyldimethylsilyloxy-8-[(S)-2-methylvaleryloxy]-2-methyl-1-naphthyl]ethyl}-tetrahydro-4-t-butyldimethylsilyloxy-2H-pyran-2-one(4R,6R)-6-{2-[(1S,2S,6S,8S,8aR)-1,2,6,7,8,8a-Hexahydro-6-t-butyldimethylsilyloxy-8-[(S)-2-methylvaleryloxy]-2-methyl-1-naphthyl]ethyl}tetrahydro-4-t-butyldimethylsilyloxy-2H-pyran-2-one
물성
구조 계산 물성
- 극성 표면적
- 71.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 1,070
물리화학적 성질
- 끓는 점
- 640.7 · 640.7±55.0 °C(Predicted)
- 밀도
- 1.01 · 1.01±0.1 g/cm3(Predicted)
- 용해도
- 클로로포름 (약간 용해됨), DMSO (약간 용해됨)
- 물리적 상태
- 기름
- 색상
- 갈색을 띤 노란색
화학적 성질
Yellow Oil
화학 및 산업
응용 분야
용도Homopravastatin (H603000) derivative, an impurity of Pravastatin (P702000).
관련 반응
2건
화합물 노트
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