기본 정보
- CAS
55481-90-8- 표준 SMILES
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1O- InChIKey
IEPKWJCBNGNVDF-WQIPHUEGSA-N- 분자식
- C28H32O17
- 평균 분자량
- 640.5 g/mol
- 단동위원소 질량
- 640.16394955
개요
2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-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 has been reported in Abies nephrolepis, Citrus reticulata, and other organisms with data available.
이름 및 식별자
- 우선 이름
- Laricitrin-3-rutinoside
- IUPAC
- 2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-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
- 4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-
- 분자식
- C28H32O17
- 분자량
- 640.55
이름 및 동의어
laricitrin-3-rutinosideLMPK121124723-O-[6-O-(alpha-L-rhamnosyl)-beta-D-glucosyl]-3'-methoxymyricetin3-O-[6-O-(alpha-L-rhamnosyl)-beta-D-glucosyl]-3'-methylmyricetin3'-methoxymyricetin 3-O-[6-O-(alpha-L-rhamnosyl)-beta-D-glucoside]3-O-[6-O-(alpha-L-rhamnosyl)-beta-D-glucosyl]-3'-methylether-myricetinLaricitrin 3-rutinosideMyricetin 3'-methyl ether 3-O-rutinoside4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-
데이터베이스 식별자
- CAS
55481-90-8- PubChem CID
- 101682255
- Nikkaji
- J687.766D
물성
구조 계산 물성
- XLogP
- -1.3
- 극성 표면적
- 275 Ų
- 수소 결합 공여자 수
- 10
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 1,070
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
물리화학적 성질
- 끓는 점
- 1001.5 · 1001.5±65.0 °C(Predicted)
- 밀도
- 1.8 · 1.80±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.15 · 6.15±0.40(Predicted)
화학 및 산업
공급사4 곳
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
上海瀚香生物科技有限公司17754423994 · [email protected]
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