6-Azacholest-4-en-7-one, 6-benzyl-3alpha-hydroxy-
기본 정보
- CAS
17373-01-2- 표준 SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
DXKDDFITVPVSLD-LHZBWYBFSA-N- 분자식
- C33H49NO2
- 평균 분자량
- 491.7 g/mol
이름 및 식별자
- 우선 이름
- 6-Azacholest-4-en-7-one, 6-benzyl-3alpha-hydroxy-
- IUPAC
- (1R,3aS,3bS,7R,9aR,9bS,11aR)-5-benzyl-7-hydroxy-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,3b,7,8,9,9b,10,11-decahydro-1H-cyclopenta[i]phenanthridin-4-one
- 영어명
- 3α-Hydroxy-6-benzyl-6-azacholest-4-en-7-one
- 분자식
- C33H49NO2
- 분자량
- 491.75
이름 및 동의어
DXKDDFITVPVSLD-LHZBWYBFSA-N3alpha-Hydroxy-6-benzyl-6-azacholest-4-en-7-one17373-01-26-Azacholest-4-en-7-one, 6-benzyl-3.alpha.-hydroxy-(1R,3aS,3bS,7R,9aR,9bS,11aR)-5-benzyl-7-hydroxy-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,3b,7,8,9,9b,10,11-decahydro-1H-cyclopenta[i]phenanthridin-4-one5-Benzyl-1-(1,5-dimethylhexyl)-7-hydroxy-9a,11a-dimethyl-1,2,3,3a,3b,5,7,8,9,9a,9b,10,11,11a-tetradecahydro-4H-cyclopenta[i]phenanthridin-4-one #3α-Hydroxy-6-benzyl-6-azacholest-4-en-7-one4H-Cyclopenta[i]phenanthridin-4-one, 1-[(1R)-1,5-dimethylhexyl]-1,2,3,3a,3b,5,7,8,9,9a,9b,10,11,11a-tetradecahydro-7-hydroxy-9a,11a-dimethyl-5-(phenylmethyl)-, (1R,3aS,3bS,7R,9aR,9bS,11aR)-
데이터베이스 식별자
- CAS
17373-01-2- Nikkaji
- J123.012C
물성
구조 계산 물성
- XLogP
- 8.5
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 828
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