(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

HCID 131728221

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

관련 반응

9건

화합물 노트

불러오는 중…