기본 정보
- 표준 SMILES
COc1ccc(C(OC(c2ccccc2)C2CN(C(=O)CCCCCNC(=O)OC3CCC4(C)C(=CCC5C4CCC4(C)C(C(C)CCCC(C)C)CCC54)C3)CC2O)c2ccc(OC)cc2)cc1- InChIKey
HWEDCPRBIVOWMY-UHFFFAOYSA-N- 분자식
- C60H84N2O7
- 평균 분자량
- 945.3 g/mol
이름 및 식별자
- 우선 이름
- (6-{3-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-pyrrolidin-1-yl}-6-oxo-hexyl)-carbamic acid 17-(1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl Ester
- IUPAC
- [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[6-[3-[bis(4-methoxyphenyl)methoxy-phenylmethyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]carbamate
이름 및 동의어
SCHEMBL19457926HWEDCPRBIVOWMY-UHFFFAOYSA-N(6-{3-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-pyrrolidin-1-yl}-6-oxo-hexyl)-carbamic acid 17-(1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl Ester
데이터베이스 식별자
- PubChem CID
- 131728221
물성
구조 계산 물성
- XLogP
- 13.4
- 극성 표면적
- 107 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 21
- 무거운 원자 수
- 69
- 형식 전하
- 0
- 복잡도
- 1,620
관련 반응
9건
화합물 노트
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