6-Hydroxykaempferol 3-Rutinoside-6-glucoside

CAS Registry Number®

145134-63-0
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CAS Name

6-Hydroxykaempferol 3-Rutinoside-6-glucoside

Molecular Formula

C33H40O21

Molecular Mass

772.66

Cite this Page

6-Hydroxykaempferol 3-Rutinoside-6-glucoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=145134-63-0 (retrieved 2024-08-28) (CAS RN: 145134-63-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=NEXCWFVNYYIZCR-PUWRHKPVSA-N

SMILES

O=C1C=2C(OC(=C1O[C@@H]3O[C@H](CO[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@@H](O)[C@H](O)[C@H]3O)C5=CC=C(O)C=C5)=CC(O)=C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C2O

Canonical SMILES

O=C1C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)=C(OC4=CC(O)=C(OC5OC(CO)C(O)C(O)C5O)C(O)=C14)C=6C=CC(O)=CC6

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-6-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-
  • 3-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-6-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • 6-Hydroxykaempferol 3-β-rutinoside 6-β-D-glucoside
  • 6-Hydroxykaempferol 3-Rutinoside-6-glucoside