Pseudolaric acid A O-β-D-glucopyranoside

CAS Registry Number®

98891-44-2
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CAS Name

Pseudolaric acid A O-β-D-glucopyranoside

Molecular Formula

C28H38O11

Molecular Mass

550.59

Cite this Page

Pseudolaric acid A O-β-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=98891-44-2 (retrieved 2024-09-09) (CAS RN: 98891-44-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H38O11/c1-15-7-11-27-12-9-19(28(27,13-8-15)38-17(3)30)26(4,39-25(27)35)10-5-6-16(2)23(34)37-24-22(33)21(32)20(31)18(14-29)36-24/h5-7,10,18-22,24,29,31-33H,8-9,11-14H2,1-4H3/b10-5+,16-6+/t18-,19+,20-,21+,22-,24+,26-,27-,28+/m1/s1

InChIKey

InChIKey=IVYWRYGMQNKDQB-VHJBJYHKSA-N

SMILES

O(C(C)=O)[C@]12[C@@]3(CC[C@]1([C@](/C=C/C=C(/C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=O)\C)(C)OC3=O)[H])CC=C(C)CC2

Canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C(=CC=CC2(OC(=O)C34CC=C(C)CCC4(OC(=O)C)C2CC3)C)C

Other Names for this Substance

  • β-D-Glucopyranose, 1-[(2E,4E)-5-[(3R,4S,4aS,9aR)-4a-(acetyloxy)-3,4,4a,5,6,9-hexahydro-3,7-dimethyl-1-oxo-1H-4,9a-ethanocyclohepta[c]pyran-3-yl]-2-methyl-2,4-pentadienoate]
  • 1H-4,9a-Ethanocyclohepta[c]pyran, 2,4-pentadienoic acid deriv.
  • Pseudolaric acid A β-D-glucoside
  • Pseudolaric acid A O-β-D-glucopyranoside