[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate
기본 정보
- CAS
20748-22-5- 표준 SMILES
CC(C)CCCC(C)C1CC=C2C3=CCC4CC(OC(=O)c5ccccc5)CCC4(C)C3CCC21C- InChIKey
GYUGTSINMCTVDX-UHFFFAOYSA-N- 분자식
- C34H48O2
- 평균 분자량
- 488.7 g/mol
- 단동위원소 질량
- 488.36543077
이름 및 식별자
- 우선 이름
- [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate
- IUPAC
- [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate
- 영어명
- 17-(1,5-Dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,9,10,11,12,13,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl benzoate
- 분자식
- C34H48O2
- 분자량
- 488.74
이름 및 동의어
20748-22-5Cholesta-7,14-dien-3-yl benzoate[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoateDTXSID10372280CHOLEST-7(8),14(15)-DIENE-3-BENZOATECholesta-7,14-dien-3-ol, benzoate, (3β)- (9CI)17-(1,5-Dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,9,10,11,12,13,16,17-dodecahydro-1H-c17-(1,5-Dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,9,10,11,12,13,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl benz.17-(1,5-Dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,9,10,11,12,13,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ylbenzoat17-(1,5-Dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,9,10,11,12,13,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl benzoate
데이터베이스 식별자
- CAS
20748-22-5- PubChem CID
- 2738131
- DTXSID
DTXSID10372280
물성
구조 계산 물성
- XLogP
- 9.9
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 860
물리화학적 성질
- 끓는 점
- 580.565 · 580.565±49.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.053 · 1.053±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
관련 반응
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