3-(β-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one

CAS Registry Number®

81563-84-0

CAS Name

3-(β-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one

Molecular Formula

C23H24O13

Molecular Mass

508.43

Cite this Page

3-(β-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-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=81563-84-0 (retrieved 2024-11-25) (CAS RN: 81563-84-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H24O13/c1-32-11-5-8(3-4-9(11)25)20-22(36-23-19(31)18(30)15(27)13(7-24)35-23)17(29)14-12(34-20)6-10(26)21(33-2)16(14)28/h3-6,13,15,18-19,23-28,30-31H,7H2,1-2H3/t13-,15-,18+,19-,23+/m1/s1

InChIKey

InChIKey=MPUCOEGUJZQKTC-XCSGUALTSA-N

SMILES

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

Canonical SMILES

O=C1C(OC2OC(CO)C(O)C(O)C2O)=C(OC3=CC(O)=C(OC)C(O)=C13)C=4C=CC(O)=C(OC)C4

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-
  • 3-(β-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one
  • Spinacetin 3-O-β-D-glucopyranoside
  • Spinacetin 3-O-β-glucoside
  • Spinacetin 3-β-glucoside

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Deleted or Replaced CAS Registry Numbers

158560-12-4

CAS INSIGHTSTM
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