기본 정보
- CAS
83529-71-9- 표준 SMILES
O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O- InChIKey
LHMKSPOTCLVAKR-AVMIHGAISA-N- 분자식
- C39H32O14
- 평균 분자량
- 724.7 g/mol
- 단동위원소 질량
- 724.17920569
개요
[(2R,3R,4S,5R,6S)-3,5-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate has been reported in Anisomeles indica, Stachys byzantina, and other organisms with data available.
이름 및 식별자
- 우선 이름
- Anisofolin A
- IUPAC
- [(2R,3R,4S,5R,6S)-3,5-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
- 영어명
- Anisofolin A
- 분자식
- C39H32O14
- 분자량
- 724.66
이름 및 동의어
Anisofolin A83529-71-9[(2R,3R,4S,5R,6S)-3,5-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate((2R,3R,4S,5R,6S)-3,5-dihydroxy-6-(5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl)oxy-4-((E)-3-(4-hydroxyphenyl)prop-2-enoyl)oxyoxan-2-yl)methyl (E)-3-(4-hydroxyphenyl)prop-2-enoateRefChem:112835Apigenin 7-(3'',6''-di-p-coumarylglucoside)W1645orb1984229HY-N2876LMPK12110380TN3422AKOS040761358
이름 더 보기
Apigenin 7-O-(3'',6''-di-O-E-p-coumaroyl)-β-D-glucopyranosideApigenin 7-O-(3'',6''-di-O-E-p-coumaroyl)-beta-D-glucopyranoside4H-1-Benzopyran-4-one, 7-[[3,6-bis-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-
FS-9081CS-0023455apigenin-7-O-(3'',6''-di-(E)-p-coumaroyl)-beta-D-galactopyranoside4H-1-Benzopyran-4-one, 7-[[3,6-bis-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]--D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-, (E,E)4H-1-enzopyran-4-ne, 7-[3,6-is--(2E)-3-(4-ydroxyphenyl)-1-xo-2-ropen-1-l]---lucopyranosyl]xy]-5-ydroxy-2-(4-ydroxyphenyl)-
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 219 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 53
- 형식 전하
- 0
- 복잡도
- 1,340
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
물리화학적 성질
- 끓는 점
- 1032 · 1032.0±65.0 °C(Predicted)
- 밀도
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.11 · 6.11±0.40(Predicted)
화학 및 산업
공급사24 곳
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
ALB Technology Limited702-983-3769 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海澄绍生物科技有限公司021-61847300 13341622919 · [email protected]
南京尚书生物科技有限公司18266960953 · [email protected]
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