5,7-Dihydroxy-2-methyl-8-[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]-4H-1-benzopyran-4-one

CAS Registry Number®

152041-17-3
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CAS Name

5,7-Dihydroxy-2-methyl-8-[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]-4H-1-benzopyran-4-one

Molecular Formula

C23H22O13

Molecular Mass

506.41

Cite this Page

5,7-Dihydroxy-2-methyl-8-[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]-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=152041-17-3 (retrieved 2024-09-19) (CAS RN: 152041-17-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H22O13/c1-7-2-9(24)15-10(25)5-11(26)16(21(15)35-7)22-20(32)19(31)18(30)14(36-22)6-34-23(33)8-3-12(27)17(29)13(28)4-8/h2-5,14,18-20,22,25-32H,6H2,1H3/t14-,18-,19+,20-,22+/m1/s1

InChIKey

InChIKey=LEHONRZMEVUGDI-LWMOOPSISA-N

SMILES

OC=1C(=C2C(=C(O)C1)C(=O)C=C(C)O2)[C@@H]3O[C@H](COC(=O)C4=CC(O)=C(O)C(O)=C4)[C@@H](O)[C@H](O)[C@H]3O

Canonical SMILES

O=C(OCC1OC(C=2C(O)=CC(O)=C3C(=O)C=C(OC32)C)C(O)C(O)C1O)C4=CC(O)=C(O)C(O)=C4

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-methyl-8-[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]-
  • Benzoic acid, 3,4,5-trihydroxy-, 6′-ester with 8-β-D-glucopyranosyl-5,7-dihydroxy-2-methyl-4H-1-benzopyran-4-one
  • 5,7-Dihydroxy-2-methyl-8-[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]-4H-1-benzopyran-4-one