8-(β-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS Registry Number®
80756-87-2
CAS Name
8-(β-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-oneMolecular Formula
C22H22O12Molecular Mass
478.40Cite this Page
8-(β-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(3-hydroxy-4-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=80756-87-2 (retrieved ) (CAS RN: 80756-87-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C22H22O12/c1-31-13-3-2-8(4-9(13)24)14-6-11(26)16-10(25)5-12(27)20(21(16)32-14)34-22-19(30)18(29)17(28)15(7-23)33-22/h2-6,15,17-19,22-25,27-30H,7H2,1H3/t15-,17-,18+,19-,22+/m1/s1
InChIKey
InChIKey=JNHIUGKYXOYDMR-LNBCOLIQSA-N
SMILES
O(C1=C2C(C(=O)C=C(O2)C3=CC(O)=C(OC)C=C3)=C(O)C=C1O)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O
Canonical SMILES
O=C1C=C(OC=2C(OC3OC(CO)C(O)C(O)C3O)=C(O)C=C(O)C12)C=4C=CC(OC)=C(O)C4
Other Names for this Substance
- 4H-1-Benzopyran-4-one, 8-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-
- 8-(β-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one