기본 정보
- CAS
30311-61-6- 표준 SMILES
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O- InChIKey
SPUFXPFDJYNCFD-YQJBXTIASA-N- 분자식
- C33H40O21
- 평균 분자량
- 772.7 g/mol
- 단동위원소 질량
- 772.20620828
개요
Quercetin 3-rutinoside-7-glucoside has been reported in Hemerocallis fulva, Datura inoxia, and other organisms with data available.
이름 및 식별자
- 우선 이름
- Quercetin 3-rutinoside-7-glucoside
- IUPAC
- 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
- 영어명
- Quercetin 3-rutinoside 7-glucoside
- 분자식
- C33H40O21
- 분자량
- 772.66
이름 및 동의어
30311-61-6Quercetin 3-rutinoside-7-glucoside2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-oneDTXSID101844062-(3,4-dihydroxyphenyl)-5-hydroxy-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl)oxan-2-yl)oxychromen-4-oneRefChem:1097740DTXCID80106897Quercetin 3-O-rutinoside-7-O-glucosideQuercetin 3-rutinoside 7-glucosideQuercetin 3-rutinoside 7-glucoside (Morkotin A)Quercetin 3-rhamnoglucoside 7-beta-glucosideFlavone, 3,3',4',5,7-pentahydroxy-, 3-(6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside) 7-beta-D-glucopyranoside
이름 더 보기
Quercetin 3-rutinoside 7-glucoside-RMQuercetin 3-O-rutinoside-7-O-glucoside (Standard)4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-
물성
구조 계산 물성
- XLogP
- -3.1
- 극성 표면적
- 345 Ų
- 수소 결합 공여자 수
- 13
- 수소 결합 수용자 수
- 21
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 54
- 형식 전하
- 0
- 복잡도
- 1,320
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
물리화학적 성질
- 끓는 점
- 1145 · 1145.0±65.0 °C(Predicted)
- 밀도
- 1.84 · 1.84±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C
- 산도 계수 (pKa)
- 5.77 · 5.77±0.40(Predicted)
- 주요 응용
- 음식 및 음료
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 13 - Non Combustible Solids
화학 및 산업
응용 분야
용도Quercetin 3-O-rutinoside-7-O-glucoside may be used as a reference standard for the determination of the analyte in Withania somnifera aerial parts by high performance liquid chromatography method.
일반 설명Quercetin 3-O-rutinoside-7-O-glucoside is a flavonoid compound found in mulberry leaves and fruits.
공급사
불러오는 중…
공개 문의
불러오는 중…
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…