Isorhamnetin 3-sophoroside-7-glucoside

CAS Registry Number®

17331-29-2

CAS Name

Isorhamnetin 3-sophoroside-7-glucoside

Molecular Formula

C34H42O22

Molecular Mass

802.68

Cite this Page

Isorhamnetin 3-sophoroside-7-glucoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17331-29-2 (retrieved 2024-11-25) (CAS RN: 17331-29-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H42O22/c1-49-14-4-10(2-3-12(14)38)29-30(23(43)19-13(39)5-11(6-15(19)51-29)50-32-27(47)24(44)20(40)16(7-35)52-32)55-34-31(26(46)22(42)18(9-37)54-34)56-33-28(48)25(45)21(41)17(8-36)53-33/h2-6,16-18,20-22,24-28,31-42,44-48H,7-9H2,1H3/t16-,17-,18-,20-,21-,22-,24+,25+,26+,27-,28-,31-,32-,33+,34+/m1/s1

InChIKey

InChIKey=GFXVHGLRIICEQY-HPNWUOEDSA-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(OC)=C(O)C=C4)[C@H]5[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@@H](CO)O5

Canonical SMILES

O=C1C(OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(O)C3O)=C(OC4=CC(OC5OC(CO)C(O)C(O)C5O)=CC(O)=C14)C=6C=CC(O)=C(OC)C6

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-
  • Brassicoside
  • 3-[(2-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one
  • Isorhamnetin 3-sophoroside-7-glucoside

CAS INSIGHTSTM
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