methyl (1S,2S,4S,5R,6R,7S)-5-hydroxy-5-[(R)-hydroxy-[(Z)-[(1S,2S,4R,6S,7S)-10-methoxycarbonyl-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,8-dioxatricyclo[4.4.0.02,4]dec-9-en-5-ylidene]methoxy]methyl]-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,8-dioxatricyclo[4.4.0.02,4]dec-9-ene-10-carboxylate
기본 정보
- 표준 SMILES
COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2/C(=C/O[C@@H](O)[C@@]3(O)[C@@H]4[C@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)OC=C(C(=O)OC)[C@H]4[C@@H]4O[C@@H]43)[C@H]3O[C@H]3[C@H]12- InChIKey
JDAPNJUPAIXZIN-WQGORORWSA-N- 분자식
- C34H44O23
- 평균 분자량
- 820.7 g/mol
- 단동위원소 질량
- 820.22733767
개요
JDAPNJUPAIXZIN-WQGORORWSA-N has been reported in Morinda citrifolia with data available.
이름 및 식별자
- 우선 이름
- methyl (1S,2S,4S,5R,6R,7S)-5-hydroxy-5-[(R)-hydroxy-[(Z)-[(1S,2S,4R,6S,7S)-10-methoxycarbonyl-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,8-dioxatricyclo[4.4.0.02,4]dec-9-en-5-ylidene]methoxy]methyl]-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,8-dioxatricyclo[4.4.0.02,4]dec-9-ene-10-carboxylate
- IUPAC
- methyl (1S,2S,4S,5R,6R,7S)-5-hydroxy-5-[(R)-hydroxy-[(Z)-[(1S,2S,4R,6S,7S)-10-methoxycarbonyl-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,8-dioxatricyclo[4.4.0.02,4]dec-9-en-5-ylidene]methoxy]methyl]-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,8-dioxatricyclo[4.4.0.02,4]dec-9-ene-10-carboxylate
물성
구조 계산 물성
- XLogP
- -6.2
- 극성 표면적
- 345 Ų
- 수소 결합 공여자 수
- 10
- 수소 결합 수용자 수
- 23
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 57
- 형식 전하
- 0
- 복잡도
- 1,650
공급사
불러오는 중…
공개 문의
불러오는 중…
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…