3-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-(β-D-galactopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one

CAS Registry Number®

50867-29-3
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CAS Name

3-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-(β-D-galactopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one

Molecular Formula

C33H40O21

Molecular Mass

772.66

Cite this Page

3-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-(β-D-galactopyranosyloxy)-5-hydroxy-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=50867-29-3 (retrieved 2024-09-20) (CAS RN: 50867-29-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-14(37)5-11(50-32-27(46)24(43)20(39)16(7-34)52-32)6-15(18)51-29(30)10-2-3-12(35)13(36)4-10/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3/t9-,16+,17+,19-,20-,21+,23+,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1

InChIKey

InChIKey=SPUFXPFDJYNCFD-LVCBHMBESA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C2)C4=CC(O)=C(O)C=C4)[C@@H]5O[C@H](CO[C@H]6[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O6)[C@@H](O)[C@H](O)[C@H]5O

Canonical SMILES

O=C1C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)=C(OC4=CC(OC5OC(CO)C(O)C(O)C5O)=CC(O)=C14)C=6C=CC(O)=C(O)C6

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-(β-D-galactopyranosyloxy)-5-hydroxy-
  • 3-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-(β-D-galactopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one
  • Quercetin 3-rutinoside-7-galactoside