모리타니
Mauritianin
기본 정보
- CAS
109008-28-8- 표준 SMILES
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O- InChIKey
WRXVPTMENPZUIZ-MOVIZTNPSA-N- 분자식
- C33H40O19
- 평균 분자량
- 740.7 g/mol
- 단동위원소 질량
- 740.21637904
개요
3-[(2S,3R,4S,5R,6R)-4,5-Dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one has been reported in Glycine max, Alangium kurzii, and other organisms with data available.
이름 및 식별자
- 우선 이름
- Mauritianin
- IUPAC
- 3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
- 현지명
- 모리타니
- 영어명
- mauritianin
- 분자식
- C33H40O19
- 분자량
- 740.66
이름 및 동의어
Mauritianin109008-28-8Kaempferol 3-O-(2,6-di-O-alpha-L-rhamnopyranosyl)-beta-D-galactopyranosideRefChem:925370DTXCID20712873-((2S,5S)-4,5-dihydroxy-3-((2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-6-(((2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl)oxan-2-yl)oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-oneDTXSID201487963-[(2S,3R,4S,5R,6R)-4,5-Dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-oneSCHEMBL572330orb1684422CHEMBL3747539HY-N5038
이름 더 보기
모리타니3-[6-O-[2-O-(6-Deoxy-L-mannopyranos-1α-yl)-6-deoxy-L-mannopyranos-1α-yl]-β-D-galactopyranosyloxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→6)]-β-D-galactopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1-2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1-6)]-beta-D-galactopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
물성
구조 계산 물성
- XLogP
- -2
- 극성 표면적
- 304 Ų
- 수소 결합 공여자 수
- 11
- 수소 결합 수용자 수
- 19
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 52
- 형식 전하
- 0
- 복잡도
- 1,260
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
물리화학적 성질
- 녹는점
- 196 · 196-198 °C(Solv: methanol (67-56-1); acetone (67-64-1))
- 끓는 점
- 1054 · 1054.0±65.0 °C(Predicted)
- 밀도
- 1.74 · 1.74±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- DMSO: 용해될 수 있다
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 6.2 · 6.20±0.40(Predicted)
- 색상
- Off-white to yellow
관련 반응
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