기본 정보
- CAS
218605-31-3- 표준 SMILES
O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O- InChIKey
NFSCOXCDAAETPI-WSLAOOLZSA-N- 분자식
- C39H32O15
- 평균 분자량
- 740.7 g/mol
- 단동위원소 질량
- 740.17412031
개요
Kaempferol 3-(3,6-di-p-coumaroylglucoside) has been reported in Stenochlaena palustris with data available.
이름 및 식별자
- 우선 이름
- Kaempferol 3-O-(3'',6''-Di-O-E-P-Coumaroyl)-Beta-D-Glucopyranoside
- IUPAC
- [(2R,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,5-dihydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
- 영어명
- Kaempferol 3-O-(3",6"-di-O-E- p-coumaroyl)-β-D-glucopyranoside
- 분자식
- C39H32O15
- 분자량
- 740.67
이름 및 동의어
kaempferol-coumaroyl-gluRefChem:924047Kaempferol 3-O-(3'',6''-Di-O-E-P-Coumaroyl)-Beta-D-Glucopyranoside((2R,3R,4S,5R,6S)-6-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl)oxy-3,5-dihydroxy-4-((E)-3-(4-hydroxyphenyl)prop-2-enoyl)oxyoxan-2-yl)methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate218605-31-3CHEMBL446770Kaempferol 3-(3'',6''-di-p-coumarylglucoside)orb1681188LMPK12111796TN5544AKOS040762743kaempferol 3-O-(3",6"-O-di-p-coumaroyl)-glucoside
이름 더 보기
Kaempferol 3-O-(3",6"-di-O-E-p-coumaroyl)-β-D-glucopyranosideKaempferol 3-O-(3",6"-di-O-E- p-coumaroyl)-β-D-glucopyranoside4H-1-Benzopyran-4-one, 3-[[3,6-bis-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
Kaempferol 3-O-(3",6"-di-O-E-p-coumaroyl)-??-D-glucopyranoside((2R,3R,4S,5R,6S)-6-((5,7-diHydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl)oxy)-3,5-dihydroxy-4-(((E)-3-(4-hydroxyphenyl)acryloyl)oxy)tetrahydro-2H-pyran-2-yl)methyl (E)-3-(4-hydroxyphenyl)acrylate
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 239 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 54
- 형식 전하
- 0
- 복잡도
- 1,390
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
물리화학적 성질
- 끓는 점
- 1056.9 · 1056.9±65.0 °C(Predicted)
- 밀도
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.2 · 6.20±0.40(Predicted)
화학 및 산업
공급사7 곳
云南西力生物技术股份有限公司0871-65217109 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
四川百奥克睿生物科技有限公司28-86-28-8543-3893 13260669172 · [email protected]
北京谱析科技有限公司400-808-7372 13161114455 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海宾穗生物科技有限公司18301908279 · [email protected]
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