Pedunculosumoside B

CAS Registry Number®

1283600-04-3

CAS Name

Pedunculosumoside B

Molecular Formula

C33H40O17

Molecular Mass

708.66

Cite this Page

Pedunculosumoside B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1283600-04-3 (retrieved 2024-11-23) (CAS RN: 1283600-04-3).  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)31(13)50-33-29(45)27(43)25(41)21(11-36)49-33)30-16(9-34)23(39)22-17(37)7-15(8-19(22)47-30)46-32-28(44)26(42)24(40)20(10-35)48-32/h3,5-8,20-21,24-29,32-38,40-45H,4,9-11H2,1-2H3/t20-,21-,24-,25-,26+,27+,28-,29-,32-,33+/m1/s1

InChIKey

InChIKey=HTSBCGPVSFENKR-LMYGLBCJSA-N

SMILES

C(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(CC=C(C)C)=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(O)=C4

Canonical SMILES

O=C1C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C=C2OC(C=4C=C(O)C(OC5OC(CO)C(O)C(O)C5O)=C(C4)CC=C(C)C)=C1CO

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-2-[4-(β-D-glucopyranosyloxy)-3-hydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-5-hydroxy-3-(hydroxymethyl)-
  • 7-(β-D-Glucopyranosyloxy)-2-[4-(β-D-glucopyranosyloxy)-3-hydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-5-hydroxy-3-(hydroxymethyl)-4H-1-benzopyran-4-one
  • Pedunculosumoside B

CAS INSIGHTSTM
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