Asperulosidic acid

CAS Registry Number®

25368-11-0
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CAS Name

Asperulosidic acid

Molecular Formula

C18H24O12

Molecular Mass

432.38

Cite this Page

Asperulosidic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=25368-11-0 (retrieved 2024-07-04) (CAS RN: 25368-11-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H24O12/c1-6(20)27-4-7-2-9(21)12-8(16(25)26)5-28-17(11(7)12)30-18-15(24)14(23)13(22)10(3-19)29-18/h2,5,9-15,17-19,21-24H,3-4H2,1H3,(H,25,26)/t9-,10+,11+,12-,13+,14-,15+,17-,18-/m0/s1

InChIKey

InChIKey=DGDWCRWJRNMRKX-DILZHRMZSA-N

SMILES

O([C@H]1[C@]2([C@@](C(C(O)=O)=CO1)([C@@H](O)C=C2COC(C)=O)[H])[H])[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O

Canonical SMILES

O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C(=CC(O)C13)COC(=O)C

Other Names for this Substance

  • Cyclopenta[c]pyran-4-carboxylic acid, 7-[(acetyloxy)methyl]-1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-, (1S,4aS,5S,7aS)-
  • Cyclopenta[c]pyran-4-carboxylic acid, 1α-(β-D-glucopyranosyloxy)-1,4aα,5,7aα-tetrahydro-5β-hydroxy-7-(hydroxymethyl)-, 7-acetate
  • Cyclopenta[c]pyran-4-carboxylic acid, 7-[(acetyloxy)methyl]-1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-, [1S-(1α,4aα,5β,7aα)]-
  • (1S,4aS,5S,7aS)-7-[(Acetyloxy)methyl]-1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxycyclopenta[c]pyran-4-carboxylic acid
  • Asperulosidic acid