PravastatinLactone-d3

HCID 9931183

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 81131-71-7
표준 SMILES: CCC(C)C(=O)OC1CC(O)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21
InChIKey: OQARDMYXSOFTLN-UHFFFAOYSA-N
분자식: C23H34O6
평균 분자량: 406.5 g/mol
단동위원소 질량: 406.23553881

이름 및 식별자

우선 이름: PravastatinLactone-d3
IUPAC: [3-hydroxy-8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methylbutanoate

이름 및 동의어

PravastatinLactone-d381131-71-7SCHEMBL12122511OQARDMYXSOFTLN-UHFFFAOYSA-NDTXSID901103133MFCD06410952[3-hydroxy-8-[2-(4-hydroxy-6-oxo-tetrahydropyran-2-yl)ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methylbutanoate[3-hydroxy-8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methylbutanoate1,2,3,7,8,8a-Hexahydro-3-hydroxy-7-methyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl 2-methylbutanoate2-Methylbutanoic acid, 1,2,3,7,8,8a-hexahydro-3-hydroxy-7-methyl-8-[2- (tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester2-Methylbutanoic acid, 1,2,3,7,8,8a-hexahydro-3-hydroxy-7-methyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester

데이터베이스 식별자

CAS: 81131-71-7
PubChem CID: 9931183
DTXSID: DTXSID901103133

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 93.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 7
무거운 원자 수: 29
형식 전하: 0
복잡도: 668

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