[(5S,6R)-5,6-dihydroxy-6-[(3S,8S,9R,10R,13R,14R,16R,17R)-16-hydroxy-4,4,9,13,14-pentamethyl-11-oxo-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptan-2-yl] acetate
기본 정보
- 표준 SMILES
CC(=O)OC(C)(C)CC[C@H](O)[C@](C)(O)[C@H]1[C@H](O)C[C@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C- InChIKey
MLRANCIIGOHULD-YJQIFQTHSA-N- 분자식
- C38H62O12
- 평균 분자량
- 710.9 g/mol
- 단동위원소 질량
- 710.42412742
개요
MLRANCIIGOHULD-YJQIFQTHSA-N has been reported in Cyclanthera pedata with data available.
이름 및 식별자
- 우선 이름
- [(5S,6R)-5,6-dihydroxy-6-[(3S,8S,9R,10R,13R,14R,16R,17R)-16-hydroxy-4,4,9,13,14-pentamethyl-11-oxo-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptan-2-yl] acetate
- IUPAC
- [(5S,6R)-5,6-dihydroxy-6-[(3S,8S,9R,10R,13R,14R,16R,17R)-16-hydroxy-4,4,9,13,14-pentamethyl-11-oxo-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptan-2-yl] acetate
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 203 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 50
- 형식 전하
- 0
- 복잡도
- 1,350
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…