CID 101603185
기본 정보
- CAS
66451-22-7- 표준 SMILES
COC(=O)C(O)[C@H]1C2(C)C[C@@]34O[C@]5(C)O[C@]6([C@@H]7/C(=C(/O)C(C)C)C(=O)O[C@@H](c8ccoc8)[C@]7(C)[C@@H](OC(=O)C(C)C)[C@@H](OC(C)=O)[C@]6(O5)[C@]13C)[C@H](OC(C)=O)[C@@]4(OC(=O)C(C)C)[C@H]2O- InChIKey
WWWHGCHXSFWLJD-GRFDIXNDSA-N- 분자식
- C45H58O19
- 평균 분자량
- 902.9 g/mol
이름 및 식별자
- 우선 이름
- CID 101603185
- IUPAC
- [(1R,2S,3Z,6S,7R,8R,9R,10R,12R,14R,15R,16S,18S,19S,20S)-9,20-diacetyloxy-6-(furan-3-yl)-18-hydroxy-16-(1-hydroxy-2-methoxy-2-oxoethyl)-3-(1-hydroxy-2-methylpropylidene)-7,12,15,17-tetramethyl-19-(2-methylpropanoyloxy)-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docosan-8-yl] 2-methylpropanoate
- 영어명
- 11α-Acetoxy-6-hydroxy-15-(1-hydroxy-2-methylpropylidene)-12α-(2-methylpropanoyloxy)phragmalin 30-acetate 2-(2-methylpropanoate)
- 분자식
- C45H58O19
- 분자량
- 902.93
이름 및 동의어
Chukrasin11α-Acetoxy-6-hydroxy-15-(1-hydroxy-2-methylpropylidene)-12α-(2-methylpropanoyloxy)phragmalin 30-acetate 2-(2-methylpropanoate)8H-6,11b-Epoxy-4b,8:7a,10-dimethano-1H-2-benzopyrano[5,6-d][1,3]benzodioxepin-11-acetic acid, 12,16-bis(acetyloxy)-1-(3-furanyl)decahydro-α,8-dihydroxy-4-(1-hydroxy-2-methylpropylidene)-6,10,11a,13a-tetramethyl-9,13-bis(2-methyl-1-oxopropoxy)-3-oxo-, methyl ester, (1R,4aS,4bR,6S,7aR,8S,9S,10R,11S,11...
데이터베이스 식별자
- CAS
66451-22-7
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 259 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 19
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 64
- 형식 전하
- 0
- 복잡도
- 2,100
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…