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기본 정보
- CAS
123852-22-2- 표준 SMILES
CCC(C)(C)C(=O)O[C@H]1C[C@@H](/C=N/O)[C@H](Cl)[C@]2(O)C=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]12- InChIKey
BJOYWJDUOUAWQJ-LHXKCWNGSA-N- 분자식
- C31H52ClNO7Si
- 평균 분자량
- 614.296 g/mol
- 단동위원소 질량
- 613.32015721
이름 및 식별자
- 우선 이름
- [(1S,3S,4S,4aS,7S,8S,8aS)-8-[2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]ethyl]-4-chloro-4a-hydroxy-3-[(E)-hydroxyiminomethyl]-7-methyl-2,3,4,7,8,8a-hexahydro-1H-naphthalen-1-yl] 2,2-dimethylbutanoate
- IUPAC
- (3S,4S,4aS,7S,8S,8aS)-8-{2-[(2R,4R)-4-{[tert-Butyl(dimethyl)silyl]oxy}-6-oxooxan-2-yl]ethyl}-4-chloro-4a-hydroxy-3-[(E)-(hydroxyimino)methyl]-7-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl 2,2-dimethylbutanoate
- 영어명
- [1S-[1α,3α,4β,4aα,7β,8β(2S*,4S*)]]-2,2-DiMethylbutanoic Acid 4-Chloro-8-[2-[4-[[(1,1-diMethylethyl)diMethylsilyl]oxy]tetrahydro-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,4,4a,7,8,8a-octahydro-4a-hydroxy-3-[(hydroxyiMino)Methyl]-7-Methyl-1-naphthalenyl Ester
- 분자식
- C31H52ClNO7Si
- 분자량
- 614.29
이름 및 동의어
Caprylic Acid Impurity 254-tert-ButyldiMethylsilyl-5'-chloro-4a'-hydroxy-6'-(hydroxyiMino)Methyl SiMvastatin4-tert-Butyldimethylsilyl-5′-chloro-4a′-hydroxy-6′-(hydroxyimino)methyl Simvastatin, CAS 123852-22-2[1S-[1α,3α,4β,4aα,7β,8β(2S*,4S*)]]-2,2-DiMethylbutanoic Acid 4-Chloro-8-[2-[4-[[(1,1-diMethylethyl)diMethylsilyl]oxy]tetrahydro-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,4,4a,7,8,8a-octahydro-4a-hydroxy-3-[(hydroxyiMino)Methyl]-7-Methyl-1-naphthalenyl EsterButanoic acid, 2,2-dimethyl-, 4-chloro-8-[2-[4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]tetrahydro-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,4,4a,7,8,8a-octahydro-4a-hydroxy-3-[(hydroxyimino)methyl]-7-methyl-1-naphthalenyl ester, [1S-[1α,3α,4β,4aα,7β,8β(2S*,4S*)]]- (9CI)
데이터베이스 식별자
- CAS
123852-22-2- PubChem CID
- 14535734
물성
물리화학적 성질
- 끓는 점
- 671.7 · 671.7±55.0 °C(Predicted)
- 밀도
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C Freezer, Under inert atmosphere
- 용해도
- 클로로포름, 디클로로메탄, 에틸아세테이트에 용해됨
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 11.31 · 11.31±0.28(Predicted)
- 색상
- 연한 갈색
화학적 성질
Light Brown Solid
화학 및 산업
응용 분야
용도Intermediate for the preparation of Simvastatin analogs as HMG-CoA reductase inhibitors
공급사5 곳
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