3-(D-Galactopyranosyloxy)-2-[3-(D-galactopyranosyloxy)-4,5-dihydroxyphenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one

CAS Registry Number®

28454-81-1
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CAS Name

3-(D-Galactopyranosyloxy)-2-[3-(D-galactopyranosyloxy)-4,5-dihydroxyphenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one

Molecular Formula

C27H30O18

Molecular Mass

642.52

Cite this Page

3-(D-Galactopyranosyloxy)-2-[3-(D-galactopyranosyloxy)-4,5-dihydroxyphenyl]-5,7-dihydroxy-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=28454-81-1 (retrieved 2024-09-19) (CAS RN: 28454-81-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H30O18/c28-5-13-17(34)20(37)22(39)26(43-13)42-12-2-7(1-10(32)16(12)33)24-25(19(36)15-9(31)3-8(30)4-11(15)41-24)45-27-23(40)21(38)18(35)14(6-29)44-27/h1-4,13-14,17-18,20-23,26-35,37-40H,5-6H2/t13-,14-,17+,18+,20+,21+,22-,23-,26?,27?/m1/s1

InChIKey

InChIKey=FEWRYXXFMHQZRI-GXKVEOHCSA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC(OC4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)=C(O)C(O)=C3)C5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O

Canonical SMILES

O=C1C(OC2OC(CO)C(O)C(O)C2O)=C(OC=3C=C(O)C=C(O)C13)C=4C=C(O)C(O)=C(OC5OC(CO)C(O)C(O)C5O)C4

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3-(D-galactopyranosyloxy)-2-[3-(D-galactopyranosyloxy)-4,5-dihydroxyphenyl]-5,7-dihydroxy-
  • Flavone, 3,3′,4′,5,5′,7-hexahydroxy-, 3,3′-di-D-galactoside
  • 3-(D-Galactopyranosyloxy)-2-[3-(D-galactopyranosyloxy)-4,5-dihydroxyphenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one
  • Myricetin 3,3′-di-D-galactoside