3-[[6-O-(2-Carboxyacetyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one
CAS Registry Number®
86555-37-5
CAS Name
3-[[6-O-(2-Carboxyacetyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-oneMolecular Formula
C25H24O15Molecular Mass
564.45Cite this Page
3-[[6-O-(2-Carboxyacetyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=86555-37-5 (retrieved ) (CAS RN: 86555-37-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C25H24O15/c1-36-13-4-9(2-3-11(13)27)23-24(20(33)18-12(28)5-10(26)6-14(18)38-23)40-25-22(35)21(34)19(32)15(39-25)8-37-17(31)7-16(29)30/h2-6,15,19,21-22,25-28,32,34-35H,7-8H2,1H3,(H,29,30)/t15-,19-,21+,22-,25+/m1/s1
InChIKey
InChIKey=QCPKSTMYFZPGOX-UIACVGONSA-N
SMILES
O(C1=C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC(OC)=C(O)C=C3)[C@@H]4O[C@H](COC(CC(O)=O)=O)[C@@H](O)[C@H](O)[C@H]4O
Canonical SMILES
O=C(O)CC(=O)OCC1OC(OC=2C(=O)C=3C(O)=CC(O)=CC3OC2C=4C=CC(O)=C(OC)C4)C(O)C(O)C1O
Other Names for this Substance
- 4H-1-Benzopyran-4-one, 3-[[6-O-(2-carboxyacetyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-
- 4H-1-Benzopyran-4-one, 3-[[6-O-(carboxyacetyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-
- 3-[[6-O-(2-Carboxyacetyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one