Isoscoparin-2′′O-glucoside

CAS Registry Number®

97605-25-9
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CAS Name

Isoscoparin-2′′O-glucoside

Molecular Formula

C28H32O16

Molecular Mass

624.54

Cite this Page

Isoscoparin-2′′O-glucoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=97605-25-9 (retrieved 2024-08-22) (CAS RN: 97605-25-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H32O16/c1-40-14-4-9(2-3-10(14)31)13-5-11(32)18-15(41-13)6-12(33)19(22(18)36)26-27(24(38)21(35)16(7-29)42-26)44-28-25(39)23(37)20(34)17(8-30)43-28/h2-6,16-17,20-21,23-31,33-39H,7-8H2,1H3/t16-,17-,20-,21-,23+,24+,25-,26+,27-,28+/m1/s1

InChIKey

InChIKey=AQQFWSYLUDMDBP-ODEMIOGVSA-N

SMILES

OC=1C(=C(O)C=C2C1C(=O)C=C(O2)C3=CC(OC)=C(O)C=C3)[C@H]4[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@@H](CO)O4

Canonical SMILES

O=C1C=C(OC2=CC(O)=C(C(O)=C12)C3OC(CO)C(O)C(O)C3OC4OC(CO)C(O)C(O)C4O)C=5C=CC(O)=C(OC)C5

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 6-(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-
  • 6-(2-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one
  • Isoscoparin-2′′O-glucoside