기본 정보
- CAS
60324-76-7- 표준 SMILES
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]4[C@@]34C=C[C@]2(C1)n1c(=O)n(-c2ccccc2)c(=O)n14- InChIKey
JGOTVRUNJKKBLL-GUPIGTCDSA-N- 분자식
- C38H51N3O4
- 평균 분자량
- 613.8 g/mol
- 단동위원소 질량
- 613.38795712
이름 및 식별자
- 우선 이름
- CID 15227016
- IUPAC
- [(1S,2R,5R,6R,9R,10R,13S,15S)-5-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-17,19-dioxo-18-phenyl-16,18,20-triazahexacyclo[13.5.2.01,9.02,6.010,15.016,20]docos-21-en-13-yl] acetate
- 영어명
- (4aS,6S,8aR,8bR,10aR,11R,13aR,13bS)-6-(Acetyloxy)-5,6,7,8,8a,8b,10,10a,11,12,13,13a-dodecahydro-8a,10a-diMethyl-2-phenyl-11-[(1R,2E,4R)-1,4,5-triMethyl-2-hexen-1-yl]-4a,13b-etheno-1H,9H-benzo[c]cyclopenta[h][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-dione
- 분자식
- C38H51N3O4
- 분자량
- 613.83
이름 및 동의어
(3β,5α)5,8-[N,N-(4-Phenylurazole)]-3-O-acetyl-cholest-6,22-diene-3-ol(3β,5α)5,9-[N,N-(4-Phenylurazole)]-3-O-acetyl-cholest-6,22-diene-3-ol(3β,5α)5,8-[N,N-(4-Phenylurazole)]-3-O-acetyl-cholest-6,22-diene-3-ol, CAS 60324-76-7(4aS,6S,8aR,8bR,10aR,11R,13aR,13bS)-6-(Acetyloxy)-5,6,7,8,8a,8b,10,10a,11,12,13,13a-dodecahydro-8a,10a-diMethyl-2-phenyl-11-[(1R,2E,4R)-1,4,5-triMethyl-2-hexen-1-yl]-4a,13b-etheno-1H,9H-benzo[c]cyclopenta[h][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-dione4a,13b-Etheno-1H,9H-benzo[c]cyclopenta[h][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-dione, 6-(acetyloxy)-5,6,7,8,8a,8b,10,10a,11,12,13,13a-dodecahydro-8a,10a-dimethyl-2-phenyl-11-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-, (4aS,6S,8aR,8bR,10aR,11R,13aR,13bS)-[4aS-[4aα,6α,8aα,8bβ,10aα,11α(1S*,2E,4R*),13aβ,13bα]]-6-(Acetyloxy)-5,6,7,8,8a,8b,10,10a,11,12,13,13a-dodecahydro-8a,10a-diMethyl-2-phenyl-11-(1,4,5-triMethyl-2-hexenyl)-4a,13b-etheno-1H,9H-benzo[c]cyclopenta[h][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-dione
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 8.2
- 극성 표면적
- 70.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 1,300
물리화학적 성질
- 용해도
- 클로로포름, 디클로로메탄, 에틸아세테이트에 용해됨
- 물리적 상태
- 고체
- 색상
- 하얀색
화학적 성질
White Solid
화학 및 산업
응용 분야
용도Intermediate in the preparation of Vitamin D2 (V676040) and its derivatives.
공급사4 곳
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
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