[(1S,2S,3R,5R,6S)-6-[(3S)-4-[(2R)-3,3-dimethyloxiran-2-yl]-3-[(Z)-2-methylbut-2-enoyl]oxybut-1-en-2-yl]-2,3-dihydroxy-3-methyl-5-[(Z)-2-methylbut-2-enoyl]oxy-4-oxocyclohexyl] (Z)-2-methylbut-2-enoate
기본 정보
- 표준 SMILES
C=C([C@H]1[C@H](OC(=O)/C(C)=C\C)[C@H](O)[C@@](C)(O)C(=O)[C@@H]1OC(=O)/C(C)=C\C)[C@H](C[C@H]1OC1(C)C)OC(=O)/C(C)=C\C- InChIKey
ZUJSJEBYSRBNKJ-RJKFIZJTSA-N- 분자식
- C30H42O10
- 평균 분자량
- 562.6 g/mol
- 단동위원소 질량
- 562.27779754
개요
[(1S,2S,3R,5R,6S)-6-[(3S)-4-[(2R)-3,3-dimethyloxiran-2-yl]-3-[(Z)-2-methylbut-2-enoyl]oxybut-1-en-2-yl]-2,3-dihydroxy-3-methyl-5-[(Z)-2-methylbut-2-enoyl]oxy-4-oxocyclohexyl] (Z)-2-methylbut-2-enoate has been reported in Sorbus cuspidata and Ligularia dentata with data available.
이름 및 식별자
- 우선 이름
- [(1S,2S,3R,5R,6S)-6-[(3S)-4-[(2R)-3,3-dimethyloxiran-2-yl]-3-[(Z)-2-methylbut-2-enoyl]oxybut-1-en-2-yl]-2,3-dihydroxy-3-methyl-5-[(Z)-2-methylbut-2-enoyl]oxy-4-oxocyclohexyl] (Z)-2-methylbut-2-enoate
- IUPAC
- [(1S,2S,3R,5R,6S)-6-[(3S)-4-[(2R)-3,3-dimethyloxiran-2-yl]-3-[(Z)-2-methylbut-2-enoyl]oxybut-1-en-2-yl]-2,3-dihydroxy-3-methyl-5-[(Z)-2-methylbut-2-enoyl]oxy-4-oxocyclohexyl] (Z)-2-methylbut-2-enoate
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 149 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 1,140
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