Pedunculosumoside E

CAS Registry Number®

1283600-07-6

CAS Name

Pedunculosumoside E

Molecular Formula

C34H42O22

Molecular Mass

802.68

Cite this Page

Pedunculosumoside E.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1283600-07-6 (retrieved 2024-11-13) (CAS RN: 1283600-07-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H42O22/c35-6-12-21(41)20-14(40)4-11(50-34-31(27(47)24(44)19(9-38)55-34)56-33-29(49)26(46)23(43)18(8-37)54-33)5-16(20)51-30(12)10-1-2-15(13(39)3-10)52-32-28(48)25(45)22(42)17(7-36)53-32/h1-5,17-19,22-29,31-40,42-49H,6-9H2/t17-,18-,19-,22-,23-,24-,25+,26+,27+,28-,29-,31-,32-,33+,34-/m1/s1

InChIKey

InChIKey=MGXHVYURWVASGT-JGKQFCEOSA-N

SMILES

C(O)C1=C(OC=2C(C1=O)=C(O)C=C(O[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C2)C5=CC(O)=C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C=C5

Canonical SMILES

O=C1C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3OC4OC(CO)C(O)C(O)C4O)C=C2OC(C=5C=CC(OC6OC(CO)C(O)C(O)C6O)=C(O)C5)=C1CO

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 7-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-2-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]-5-hydroxy-3-(hydroxymethyl)-
  • 7-[(2-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-2-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]-5-hydroxy-3-(hydroxymethyl)-4H-1-benzopyran-4-one
  • Pedunculosumoside E

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles