[(3S,8R,9S,10R,12R,13S,14S,17S)-17-acetyl-14,17-dihydroxy-3-[(2R,4S,5S,6R)-5-[(2S,4R,5S,6S)-5-[(2S,4S,5S,6R)-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-12-yl] acetate
기본 정보
- 표준 SMILES
CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@@H]3C[C@@H](OC(C)=O)[C@]3(C)[C@](O)(C(C)=O)CC[C@]43O)C2)O[C@H](C)[C@@H]1O[C@H]1C[C@@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H](O[C@H]3C[C@@H](OC)[C@@H](O)[C@H](C)O3)[C@@H](C)O2)[C@H](C)O1- InChIKey
CRVFAQPOAZPTJB-ZRUWHBSUSA-N- 분자식
- C51H82O18
- 평균 분자량
- 983.2 g/mol
- 단동위원소 질량
- 982.55011578
개요
CRVFAQPOAZPTJB-ZRUWHBSUSA-N has been reported in Cynanchum rostellatum with data available.
이름 및 식별자
- 우선 이름
- [(3S,8R,9S,10R,12R,13S,14S,17S)-17-acetyl-14,17-dihydroxy-3-[(2R,4S,5S,6R)-5-[(2S,4R,5S,6S)-5-[(2S,4S,5S,6R)-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-12-yl] acetate
- IUPAC
- [(3S,8R,9S,10R,12R,13S,14S,17S)-17-acetyl-14,17-dihydroxy-3-[(2R,4S,5S,6R)-5-[(2S,4R,5S,6S)-5-[(2S,4S,5S,6R)-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-12-yl] acetate
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 215 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 18
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 69
- 형식 전하
- 0
- 복잡도
- 1,840
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…