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기본 정보
- CAS
20347-71-1- 표준 SMILES
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2- InChIKey
HGVVOUNEGQIPMS-UHFFFAOYSA-N- 분자식
- C30H26O13
- 평균 분자량
- 594.5 g/mol
- 단동위원소 질량
- 594.13734088
이름 및 식별자
- 우선 이름
- Procyanidin
- IUPAC
- 2-(3,4-dihydroxyphenyl)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-3,4-dihydrochromene-3,4,5,7-tetrol
- 영어명
- 2-(3,4-Dihydroxyphenyl)-2-((2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yl)oxy)chroman-3,4,5,7-tetraol
- 분자식
- C30H26O13
- 분자량
- 594.52
이름 및 동의어
Procyanidin4852-22-62H-1-Benzopyran-3,4,5,7-tetrol, 2-(3,4-dihydroxyphenyl)-2-[[2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl]oxy]-3,4-dihydro-DTXSID908586982-(3,4-dihydroxyphenyl)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-3,4-dihydrochromene-3,4,5,7-tetrol2H-1-Benzopyran-3,4,5,7-tetrol, 2-(3,4-dihydroxyphenyl)-2-((2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl)oxy)-3,4-dihydro-procyanidineA-type procyanidintype A procyanidin2-(3,4-dihydroxyphenyl)-2-((2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl)oxy)-3,4-dihydrochromene-3,4,5,7-tetrolRefChem:930005DTXCID80809437
이름 더 보기
Catechin Impurity 14Proanthocyanidins(b)chroman-3,4,5,7-tetraol-5,7-dihydroxychroman-3-yl)-2-((2-(3,4-dihydroxyphenyl)inhibit,Proanthocyanidins,Fungal,Bacterial,Inhibitor
Proanthocyanidins20347-71-12-(3,4-Dihydroxyphenyl)-2-((2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yl)oxy)chroman-3,4,5,7-tetraolMFCD016628512-(3,4-Dihydroxyphenyl)-2-((2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl)oxy)-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol2-(3,4-Dihydroxyphenyl)-2-[[2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl]oxy]-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrolProcyanidins2-(3,4-dihydroxyphenyl)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl]oxy-chromane-3,4,5,7-tetrol
데이터베이스 식별자
- CAS
20347-71-1、4852-22-6- PubChem CID
- 107876
- DTXSID
DTXSID90858698- ChEBI
CHEBI:166895- Nikkaji
- J3.767.534B
물성
구조 계산 물성보충 중
- XLogP
- 2
- 극성 표면적
- 230 Ų
- 수소 결합 공여자 수
- 10
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 957
물리화학적 성질
- 끓는 점
- 986.4 · 986.4±65.0 °C(Predicted)
- 밀도
- 1.87 · 1.87±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 용해도
- 3 mg/ml; · DMF: 3 mg/ml; DMSO: 10 mg/ml; Ethanol: 0.5 mg/ml; PBS (pH 7.2): 10 mg/ml
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 9.24 · 9.24±0.70(Predicted)
- 색상
- Light brown to black
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
화학 및 산업
응용 분야
개요Procyanidin is a polyphenol that exhibits antioxidant activity in a macrocyclic nickel complex-catalyzed Briggs-Rauscher oscillation system.
공급사37 곳
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