Chamaejasmin
기본 정보
- CAS
69618-96-8- 표준 SMILES
O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)cc2)[C@@H]1[C@@H]1C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccc(O)cc1- InChIKey
RNQBLQALVMHBKH-HHGOQMMWSA-N- 분자식
- C30H22O10
- 평균 분자량
- 542.5 g/mol
- 단동위원소 질량
- 542.12129689
개요
Chamaejasmin has been reported in Daphne aurantiaca, Stellera chamaejasme, and other organisms with data available.
이름 및 식별자
- 우선 이름
- Chamaejasmin
- IUPAC
- (2R,3S)-3-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
- 영어명
- Chamaejasmine
- 분자식
- C30H22O10
- 분자량
- 542.49
이름 및 동의어
69618-96-8ChamaejasminRefChem:9183733-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-oneChamaejasmine(2R,3S)-3-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one(3,3'-Bi-4H-1-benzopyran)-4,4'-dione, 2,2',3,3'-tetrahydro-5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-, (2R,2'R,3S,3'S)-rel-dl-Chamaejasmine(+-)-Chamaejasmineorb1680326DTXSID90219886HY-N10093
이름 더 보기
[3,3'-Bi-4H-1-benzopyran]-4,4'-dione, 2,2',3,3'-tetrahydro-5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-, (2R,2'R,3S,3'S)-rel-
TN6419AKOS0407634532,2',3,3'-Tetrahydro-5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-3,3'-bi[4H-1-benzopyran]-4,4'-dioneDA-62256CS-0255540(2R,2'R,3S,3'S)-5,5',7,7'-Tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-[3,3'-bichromane]-4,4'-dione(2R,2'R,3S,3'S)-5,5',7,7'-Tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-2,2',3,3'-tetrahydro-4H,4'H-[3,3'-bi-1-benzopyran]-4,4'-dione
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 174 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 853
물리화학적 성질
- 끓는 점
- 932.6 · 932.6±65.0 °C(Predicted)
- 밀도
- 1.594 · 1.594±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 7.14 · 7.14±0.60(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
관련 반응
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