17-(3-Hydroxypropyl-13C3)-6b,7b:15b,16b-dimethyleneandrostane-3b,5b,17b-triol
기본 정보
- CAS
1264137-83-8- 표준 SMILES
C[C@]12CC[C@H]3[C@@H]([C@H]4C[C@H]4[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]2(O)[13CH2][13CH2][13CH2]O- InChIKey
ZDMZCRYKODGNBZ-RVANAULZSA-N- 분자식
- C24H38O4
- 평균 분자량
- 393.5 g/mol
- 단동위원소 질량
- 393.2870742
이름 및 식별자
- 우선 이름
- 17-(3-Hydroxypropyl-13C3)-6b,7b:15b,16b-dimethyleneandrostane-3b,5b,17b-triol
- IUPAC
- (1R,2R,4R,5R,7S,10R,11S,14S,15S,16S,18S,19S)-15-(3-hydroxy(1,2,3-13C3)propyl)-10,14-dimethylhexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecane-5,7,15-triol
- 영어명
- (3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S,17S)-Octadecahydro-17-(3-hydroxypropyl-13C3)-10,13-dimethyl-5H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-3,5,17-triol
- 분자식
- C24H38O4
- 분자량
- 390.55612
이름 및 동의어
1264137-83-8(1R,2R,4R,5R,7S,10R,11S,14S,15S,16S,18S,19S)-15-(3-Hydroxy(1,2,3-13C3)propyl)-10,14-dimethylhexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecane-5,7,15-triol17-(3-Hydroxypropyl-13C3)-6b,7b:15b,16b-dimethyleneandrostane-3b,5b,17b-triol17-(3-Hydroxypropyl-13C3)-6beta,7beta:15beta,16beta-dimethyleneandrostane-3beta,5beta,17beta-triolDTXSID00857834(3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S,17S)-Octadecahydro-17-(3-hydroxypropyl-13C3)-10,13-dimethyl-5H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-3,5,17-triol17-(3-Hydroxypropyl-13C3)-6?,7?:15?,16?-dimethyleneandrostane-3?,5?,17?-triol(1aR,1bR,3S,5aR,5bS,7aS,8S,8aS,9aS,9bS,9cR,9dR)-8-[3-Hydroxy(~13~C_3_)propyl]-5a,7a-dimethyloctadecahydro-1bH-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-1b,3,8-triolZDMZCRYKODGNBZ-RVANAULZSA-N17-(3-Hydroxypropyl-13C3)-6,7:15,16-dimethyleneandrostane-3,5,17-triol17-(3-Hydroxypropyl-13C3)-6β,7β:15β,16β-dimethyleneandrostane-3β,5β,17β-triol17-(3-Hydroxypropyl-13C3)-6β,7β:15β,16β-dimethyleneandrostane-3β,5β,17β-triol, CAS 1264137-83-8
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 80.9 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 696
물리화학적 성질
- 녹는점
- 95 · 95-108°C
- 저장 조건
- Refrigerator
- 용해도
- 클로로포름, 메탄올에 용해됨
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
화학적 성질
White Foam
화학 및 산업
응용 분야
용도Intermediate for the preparation of Drospirenone
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