Pedunculosumoside C

CAS Registry Number®

1283600-05-4

CAS Name

Pedunculosumoside C

Molecular Formula

C33H40O17

Molecular Mass

708.66

Cite this Page

Pedunculosumoside C.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1283600-05-4 (retrieved 2024-11-27) (CAS RN: 1283600-05-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H40O17/c1-12(2)3-4-13-5-14(6-18(38)23(13)39)30-16(9-34)24(40)22-17(37)7-15(8-19(22)47-30)46-33-31(28(44)26(42)21(11-36)49-33)50-32-29(45)27(43)25(41)20(10-35)48-32/h3,5-8,20-21,25-29,31-39,41-45H,4,9-11H2,1-2H3/t20-,21-,25-,26-,27+,28+,29-,31-,32+,33-/m1/s1

InChIKey

InChIKey=ZDGISMQFYIDRSP-KZGGGLRYSA-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(CC=C(C)C)=C(O)C(O)=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=C(O)C(O)=C(C5)CC=C(C)C)=C1CO

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 2-[3,4-dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-7-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-3-(hydroxymethyl)-
  • 2-[3,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-7-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-3-(hydroxymethyl)-4H-1-benzopyran-4-one
  • Pedunculosumoside C

CAS INSIGHTSTM
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