기본 정보
- CAS
12798-58-2- 표준 SMILES
Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc2c(c1O)C[C@H](O)[C@@H](c1ccc(O)c(O)c1)O2- InChIKey
GMISZFQPFDAPGI-ZBRHZRBFSA-N- 분자식
- C30H26O12
- 평균 분자량
- 578.5 g/mol
- 단동위원소 질량
- 578.14242626
개요
Procyanidin B6 is a proanthocyanidin consisting of two molecules of (+)-catechin joined by a bond between positions 4 and 6' in alpha-configuration. Procyanidin B6 is isolated from leaves and fruit of cowberry Vaccinium vitis-idaea and other plants. It can also be found in grape seeds and in beer. It has a role as a metabolite. It is a proanthocyanidin, a biflavonoid and a hydroxyflavan. It is functionally related to a (+)-catechin.
이름 및 식별자
- 우선 이름
- Procyanidin B6
- IUPAC
- (2R,3S)-2-(3,4-dihydroxyphenyl)-6-[(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
- 현지명
- 카테킨-(4ALPHA->6)-카테킨
- 영어명
- CATECHIN-(4ALPHA->6)-CATECHIN
- 분자식
- C30H26O12
- 분자량
- 578.52
이름 및 동의어
Procyanidin B612798-58-2Procyanidin dimer B6Catechin(4a->6)catechincatechin-(4alpha->6)-catechinCHEBI:75619C-(4,6)-C(2r,2'r,3s,3's,4r)-2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2h,2'h-4,6'-bichromene-3,3',5,5',7,7'-hexolRefChem:176137Procyanidol B6SZ77QV8UB3(2R,3S)-2-(3,4-dihydroxyphenyl)-6-[(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
이름 더 보기
카테킨-(4ALPHA->6)-카테킨(4→6)-Procyanidin B6(2R,2'R,3S,3'S,4α)-3,3',4,4'-Tetrahydro-2α,2'α-bis(3,4-dihydroxyphenyl)-4,6'-bi[2H-1-benzopyran]-3,3',5,5',7,7'-hexol[4,6'-Bi-2H-1-benzopyran]-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-, (2R,2'R,3S,3'S,4R)-(2R)-2α-(3,4-Dihydroxyphenyl)-4α-[(2R)-2α-(3,4-dihydroxyphenyl)-3β,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-6-yl]-3,4-dihydro-2H-1-benzopyran-3β,5,7-triol(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-6-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran]-4α-yl]-2H-1-benzopyran-3,5,7-triol
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 221 Ų
- 수소 결합 공여자 수
- 10
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 925
물리화학적 성질
- 끓는 점
- 1009.6 · 1009.6±65.0 °C(Predicted)
- 밀도
- 1.705 · 1.705±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.29 · 9.29±0.60(Predicted)
화학 및 산업
공급사3 곳
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
TransMIT GmbH PlantMetaChem+49-172-1024293 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
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