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-oneMolecular Formula
C23H24O13Molecular Mass
508.43Cite 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 ) (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
Deleted or Replaced CAS Registry Numbers
158560-12-4