(2R,2'R,3R,3'S,4R)-2'-(3,4-Dihydroxyphenyl)-3,3',4,4'-tetrahydro-2-(4-hydroxyphenyl)(4,8'-bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol
기본 정보
- CAS
76236-89-0- 표준 SMILES
Oc1ccc([C@H]2Oc3cc(O)cc(O)c3[C@H](c3c(O)cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@@H](O)C4)[C@H]2O)cc1- InChIKey
KUODBSWFMJMVJV-UKWJTHFESA-N- 분자식
- C30H26O11
- 평균 분자량
- 562.5 g/mol
- 단동위원소 질량
- 562.14751164
개요
Gambiriin C is a proanthocyanidin.
이름 및 식별자
- 우선 이름
- (2R,2'R,3R,3'S,4R)-2'-(3,4-Dihydroxyphenyl)-3,3',4,4'-tetrahydro-2-(4-hydroxyphenyl)(4,8'-bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol
- IUPAC
- (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
- 영어명
- Gambiriin C
- 분자식
- C30H26O11
- 분자량
- 562.52
이름 및 동의어
Gambiriin C76236-89-0(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol(2R,3S)-2-(3,4-dihydroxyphenyl)-8-((2R,3R,4R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl)-3,4-dihydro-2H-chromene-3,5,7-triolRefChem:1049869(2R,2'R,3R,3'S,4R)-2'-(3,4-Dihydroxyphenyl)-3,3',4,4'-tetrahydro-2-(4-hydroxyphenyl)(4,8'-bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexolEpiafzelechin-(4beta->8)-catechin(4,8'-Bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol, 2'-(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2-(4-hydroxyphenyl)-, (2R,2'R,3R,3'S,4R)-CHEBI:5271SCHEMBL31313363DTXSID60227079LMPK12030011
이름 더 보기
[4,8'-Bi-2H-1-benzopyran]-3,3',5,5',7,7'-hexol, 2'-(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2-(4-hydroxyphenyl)-, (2R,2'R,3R,3'S,4R)-
Q27106699(2R,2'R,3R,3'S,4R)-2'-(3,4-Dihydroxyphenyl)-2-(4-hydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-[4,8'-bi-1-benzopyran]-3,3',5,5',7,7'-hexol
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 201 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 884
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Proanthocyanidins [PK1203]
물리화학적 성질
- 끓는 점
- 922.2 · 922.2±65.0 °C(Predicted)
- 밀도
- 1.651 · 1.651±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.3 · 9.30±0.60(Predicted)
관련 반응
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