기본 정보
- CAS
142561-99-7- 표준 SMILES
COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](OC[C@H]3O[C@@H](Oc4cc5c(O)cc(O)cc5[o+]c4-c4ccc(O)c(O)c4)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O- InChIKey
MUQNMJSHMPEZCV-JHCRVGSQSA-O- 분자식
- C42H47O23+
- 평균 분자량
- 919.8 g/mol
- 단동위원소 질량
- 919.25081274
이름 및 식별자
- 우선 이름
- 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-((O-6-O-((2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl)-beta-D-glucopyranosyl-(1->6)-O-(beta-D-xylopyranosyl-(1->2))-beta-D-galactopyranosyl)oxy)-1-benzopyrylium
- IUPAC
- [(2R,3S,4S,5R,6R)-6-[[(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
- 영어명
- Cyanidin 3-O-[β-D-Xylopyranosyl-(1,2)-[(4-hydroxy-3-methoxycinnamoyl)-(6)-β-D-glucopyranosyl-(1,6)]-β-D-galactopyranoside]
- 분자식
- C42H47O23+
- 분자량
- 919.81
이름 및 동의어
142561-99-7Cyanidin 3-xylosyl(feruloylglucosyl)galactoside9O2Q20ZHT0DTXSID70162083RefChem:1060996DTXCID90845742-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-((O-6-O-((2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl)-beta-D-glucopyranosyl-(1->6)-O-(beta-D-xylopyranosyl-(1->2))-beta-D-galactopyranosyl)oxy)-1-benzopyryliumUNII-9O2Q20ZHT0[(2R,3S,4S,5R,6R)-6-[[(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate3-(((2S,3R,4S,5R,6R)-4,5-dihydroxy-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((E)-3-(4-hydroxy-3-methoxyphenyl)acryloyl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[O-6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl-(1-->6)-O-[beta-D-xylopyranosyl-(1-->2)]-beta-D-galactopyranosyl]oxy]-
물성
구조 계산 물성
- 극성 표면적
- 355 Ų
- 수소 결합 공여자 수
- 13
- 수소 결합 수용자 수
- 22
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 65
- 형식 전하
- 1
- 복잡도
- 1,540
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Anthocyanidins [PK1201]
물리화학적 성질
- 저장 조건
- -20 °C · -20°C
- 용해도
- 1 mg/mL · DMSO: 1mg/mL
- 물리적 상태
- solid
- 주요 응용
- 대사체학비타민, 기능성 식품 및 천연 제품
- InChIKey
- MUQNMJSHMPEZCV-JHCRVGSQSA-O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
공급사8 곳
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
Aladdin Scientific[email protected]
四川精萃天成药物科技有限公司028-87865381 18108190480 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
成都草源康生物科技有限公司13438898246 13438898246 · [email protected]
四川恒诚致远生物科技有限公司18113192475 18113192475 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
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