(1R,3AR,4S,7aR)-1-((2R,5S,E)-6-hydroxy-5,6-dimethylhept-3-en-2-yl)-7a-methyloctahydro-1H-inden-4-ol
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
95716-67-9- 표준 SMILES
C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@H]2[C@@H](O)CCC[C@]12C- InChIKey
QRAPIRXKHMRHBR-GJRAWAKASA-N- 분자식
- C19H34O2
- 평균 분자량
- 294.5 g/mol
이름 및 식별자
- 우선 이름
- (1R,3AR,4S,7aR)-1-((2R,5S,E)-6-hydroxy-5,6-dimethylhept-3-en-2-yl)-7a-methyloctahydro-1H-inden-4-ol
- IUPAC
- (1R,3aR,4S,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
- 영어명
- 1H-Inden-4-ol, octahydro-1-[(1R,2E,4S)-5-hydroxy-1,4,5-triMethyl-2-hexen-1-yl]-7a-Methyl-, (1R,3aR,4S,7aR)-
- 분자식
- C19H34O2
- 분자량
- 294.47
이름 및 동의어
95716-67-9(1R,3AR,4S,7aR)-1-((2R,5S,E)-6-hydroxy-5,6-dimethylhept-3-en-2-yl)-7a-methyloctahydro-1H-inden-4-ol(1R,3Ar,4S,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-olAC-37217(1R,3aR,4S,7aR)-1-[(2R,3E,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-olParicalcitol-3Paricalcitol Impurity 5Paricalcitol Impurity A01(1R,3aR,7aR)-1-((2R,5S,E)-6-hydroxy-5,6-dimethylhept -3-en-2-yl)-7a-methyloctahydro-1H-inden-4(1R,3aR,7aR)-1-((2R,5S,E)-6-hydroxy-5,6-dimethylhept -3-en-2-yl)-7a-methyloctahydro-1H-inden-4-ol(1R,3aR,4S,7aR)-Octahydro-1-[(1R,2E,4S)-5-hydroxy-1,4,5-trimethyl-2-hexen-1-yl]-7a-methyl-1H-inden-4-ol>-6-(Octahydro-4-hydroxy-7a-methyl-1H-inden-1-yl)-2,3-dimethyl-4-hepten-2-ol
이름 더 보기
1H-Inden-4-ol, octahydro-1-[(1R,2E,4S)-5-hydroxy-1,4,5-triMethyl-2-hexen-1-yl]-7a-Methyl-, (1R,3aR,4S,7aR)-
데이터베이스 식별자
- CAS
95716-67-9
물성
구조 계산 물성보충 중
- XLogP
- 4.3
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 387
물리화학적 성질
- 끓는 점
- 402.8 · 402.8±18.0 °C(Predicted)
- 밀도
- 0.997 · 0.997±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.93 · 14.93±0.29(Predicted)
화학 및 산업
상·하류 제품 정보
상류 원료
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…