기본 정보
- CAS
50657-07-3- 표준 SMILES
C/C=C(/C)C(=O)O[C@@H]1C[C@H]2C(=C1C)[C@@H]1OC(=O)[C@@](C)(O)[C@@]1(O)[C@@H](OC(=O)[C@@H](C)CC)C[C@]2(C)OC(C)=O- InChIKey
FIAZIVNRHQWTPY-QAAPNFDWSA-N- 분자식
- C27H38O10
- 평균 분자량
- 522.6 g/mol
- 단동위원소 질량
- 522.2464974
개요
Trilobolide is a sesquiterpene lactone.
이름 및 식별자
- 우선 이름
- (3S,3aR,4S,6S,6aS,8R,9bS)-6-(Acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-4-((2S)-2-methyl-1-oxobutoxy)-2-oxoazuleno(4,5-b)furan-8-yl (2Z)-2-methyl-2-butenoate
- IUPAC
- [(3S,3aR,4S,6S,6aS,8R,9bS)-6-acetyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-4-yl] (2S)-2-methylbutanoate
- 현지명
- 트리로볼리드
- 영어명
- trilobolide
- 분자식
- C27H38O10
- 분자량
- 522.587
이름 및 동의어
Trilobolide50657-07-3DTXSID001098581[(3S,3aR,4S,6S,6aS,8R,9bS)-6-acetyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-4-yl] (2S)-2-methylbutanoate((3S,3aR,4S,6S,6aS,8R,9bS)-6-acetyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-((Z)-2-methylbut-2-enoyl)oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno(4,5-b)furan-4-yl) (2S)-2-methylbutanoate(3S,3aR,4S,6S,6aS,8R,9bS)-6-(Acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-4-((2S)-2-methyl-1-oxobutoxy)-2-oxoazuleno(4,5-b)furan-8-yl (2Z)-2-methyl-2-butenoate(3S,3aR,4S,6S,6aS,8R,9bS)-6-(Acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-4-[(2S)-2-methyl-1-oxobutoxy]-2-oxoazuleno[4,5-b]furan-8-yl (2Z)-2-methyl-2-butenoateRefChem:906058DTXCID101530322((3S,3aR,4S,6S,6aS,8R,9bS)-6-acetoxy-3,3a-dihydroxy-3,6,9-trimethyl-8-((Z)-2-methylbut-2-enoyl)oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno(4,5-b)furan-4-yl) (2S)-2-methylbutanoateFIAZIVNRHQWTPY-QAAPNFDWSA-
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 146 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 1,060
물리화학적 성질
- 녹는점
- 191 · 191-192 °C
- 끓는 점
- 602.2 · 602.2±55.0 °C(Predicted)
- 밀도
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.83 · 10.83±0.70(Predicted)
화학 및 산업
공급사3 곳
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
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