24-Nor-6,7-secochola-14,20,22-triene-3,6-diol, 7-((2-(4-chlorophenyl)ethyl)amino)-21,23-epoxy-4,4,8-trimethyl-, (3-beta,5-beta,13-alpha,17-alpha)-
기본 정보
- CAS
90294-24-9- 표준 SMILES
CC1(CNCCc2ccc(Cl)cc2)C2=CC[C@@H](c3ccoc3)[C@]2(C)CCC1[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CO- InChIKey
DOTYEPVQEYCNKY-ZNFYBZHWSA-N- 분자식
- C34H48ClNO3
- 평균 분자량
- 554.2 g/mol
- 단동위원소 질량
- 553.3322721
이름 및 식별자
- 우선 이름
- 24-Nor-6,7-secochola-14,20,22-triene-3,6-diol, 7-((2-(4-chlorophenyl)ethyl)amino)-21,23-epoxy-4,4,8-trimethyl-, (3-beta,5-beta,13-alpha,17-alpha)-
- IUPAC
- (1R,3R,4R)-4-[(1R,7aS)-4-[[2-(4-chlorophenyl)ethylamino]methyl]-1-(furan-3-yl)-4,7a-dimethyl-2,5,6,7-tetrahydro-1H-inden-5-yl]-3-(hydroxymethyl)-2,2,4-trimethylcyclohexan-1-ol
이름 및 동의어
BRN 460997790294-24-924-Nor-6,7-secochola-14,20,22-triene-3,6-diol, 7-((2-(4-chlorophenyl)ethyl)amino)-21,23-epoxy-4,4,8-trimethyl-, (3-beta,5-beta,13-alpha,17-alpha)-RefChem:267480DTXSID40920475(1R,3R,4R)-4-[(1R,7aS)-4-({[2-(4-Chlorophenyl)ethyl]amino}methyl)-1-(furan-3-yl)-4,7a-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-5-yl]-3-(hydroxymethyl)-2,2,4-trimethylcyclohexan-1-ol4-[4-({[2-(4-Chlorophenyl)ethyl]amino}methyl)-1-(furan-3-yl)-4,7a-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-5-yl]-3-(hydroxymethyl)-2,2,4-trimethylcyclohexan-1-ol
데이터베이스 식별자
- CAS
90294-24-9- PubChem CID
- 56843543
- DTXSID
DTXSID40920475
물성
구조 계산 물성
- XLogP
- 7.2
- 극성 표면적
- 65.6 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 884
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