6''-O-Acetylgenistin
기본 정보
- CAS
73566-30-0- 표준 SMILES
CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)c(-c4ccc(O)cc4)coc3c2)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
DXWGBJJLEDQBKS-LDBVRRDLSA-N- 분자식
- C23H22O11
- 평균 분자량
- 474.4 g/mol
- 단동위원소 질량
- 474.11621151
개요
6''-O-acetylgenistin has been reported in Glycine max, Hibiscus syriacus, and Glycine with data available.
이름 및 식별자
- 우선 이름
- 6''-O-Acetylgenistin
- IUPAC
- [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate
- 영어명
- 6''-O-ACETYLGENISTIN
- 분자식
- C23H22O11
- 분자량
- 474.42
이름 및 동의어
73566-30-06''-O-ACETYLGENISTIN6"-O-Acetylgenistin6-o-acetylgenistinGenistin 6''-O-acetate6'-O-Acetylgenistingenistin acetateUNII-TM9DKF05SXTM9DKF05SX[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-acetyl-.beta.-D-glucopyranosideACETYL GENISTIN (CONSTITUENT OF SOY ISOFLAVONES) [DSC]
이름 더 보기
6"-O-Acetylglycitin6’’-Acetylgenistin6''-O-ACETYLGENISTIN USP/EP/BPGenistin 6′′-O-Acetate, CAS 73566-30-07-[(6-O-Acetyl-β-D-glucopyranosyl)oxy]-5-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 7-[(6-O-acetyl-β-D-glucopyranosyl)oxy]-5-hydroxy-3-(4-hydroxyphenyl)-4H-1-Benzopyran-4-one, 7-(6-O-acetyl-.beta.-D-glucopyranosyl)oxy-5-hydroxy-3-(4-hydroxyphenyl)-
((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl)oxyoxan-2-yl)methyl acetate((3S,4S,6S)-3,4,5-trihydroxy-6-(5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl)oxyoxan-2-yl)methyl acetate(3,4,5-Trihydroxy-6-((5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)oxan-2-yl)methyl acetic acid(3,4,5-Trihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methyl acetic acid[(3S,4S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetateRefChem:103617ACETYL GENISTIN (CONSTITUENT OF SOY ISOFLAVONES)5-HYDROXY-3-(4-HYDROXYPHENYL)-4-OXO-4H-CHROMEN-7-YL 6-O-ACETYL-BETA-D-GLUCOPYRANOSIDE
물성
구조 계산 물성
- XLogP
- 0.9
- 극성 표면적
- 172 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 777
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
물리화학적 성질
- 끓는 점
- 772.1 · 772.1±60.0 °C(Predicted)
- 밀도
- 1.569 · 1.569±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.11 · 6.11±0.20(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
- LogP
- 2.126 · 2.126 (est)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory Information
4H-1-Benzopyran-4-one, 7-(6-O-acetyl-.beta.-D-glucopyranosyl)oxy-5-hydroxy-3-(4-hydroxyphenyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
안전 데이터
- HS 번호
- 2932990090
화학 및 산업
응용 분야
용도A metabolite of isoflavone derivatives. A derivative of Genistin (G350020). Inhibitor.
관련 반응
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