3-[(2-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-methoxy-4H-1-benzopyran-4-one

CAS Registry Number®

114882-17-6

CAS Name

3-[(2-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-methoxy-4H-1-benzopyran-4-one

Molecular Formula

C28H32O17

Molecular Mass

640.54

Cite this Page

3-[(2-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-methoxy-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=114882-17-6 (retrieved 2024-11-24) (CAS RN: 114882-17-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H32O17/c1-40-23-12(33)6-11(32)15-18(36)25(22(43-24(15)23)9-2-4-10(31)5-3-9)44-28-26(20(38)17(35)14(8-30)42-28)45-27-21(39)19(37)16(34)13(7-29)41-27/h2-6,13-14,16-17,19-21,26-35,37-39H,7-8H2,1H3/t13-,14-,16-,17-,19+,20+,21-,26-,27+,28+/m1/s1

InChIKey

InChIKey=MFWGLPLRRMATKY-BLYKTPPTSA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C=C(O)C2OC)C3=CC=C(O)C=C3)[C@H]4[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@@H](CO)O4

Canonical SMILES

O=C1C(OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(O)C3O)=C(OC=4C(OC)=C(O)C=C(O)C14)C=5C=CC(O)=CC5

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-methoxy-
  • 3-[(2-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-methoxy-4H-1-benzopyran-4-one
  • 8-O-Methylherbacetin 3-sophoroside
  • 8-Methoxykaempferol 3-O-β-D-(2′′-O-α-D-glucopyranosyl)glucopyranoside

Deleted or Replaced CAS Registry Numbers

194807-21-1

CAS INSIGHTSTM
Hourglass and a clock