Asperuloside

CAS Registry Number®

14259-45-1
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CAS Name

Asperuloside

Molecular Formula

C18H22O11

Molecular Mass

414.36

Cite this Page

Asperuloside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=14259-45-1 (retrieved 2024-04-27) (CAS RN: 14259-45-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    131.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C18H22O11/c1-6(20)25-4-7-2-9-12-8(16(24)27-9)5-26-17(11(7)12)29-18-15(23)14(22)13(21)10(3-19)28-18/h2,5,9-15,17-19,21-23H,3-4H2,1H3/t9-,10+,11+,12-,13+,14-,15+,17-,18-/m0/s1

InChIKey

InChIKey=IBIPGYWNOBGEMH-DILZHRMZSA-N

SMILES

O([C@H]1[C@]2([C@@]3([C@](C=C2COC(C)=O)(OC(=O)C3=CO1)[H])[H])[H])[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O

Canonical SMILES

O=C1OC2C=C(COC(=O)C)C3C(OC=C1C23)OC4OC(CO)C(O)C(O)C4O

Other Names for this Substance

  • 1H-2,6-Dioxacyclopent[cd]inden-1-one, 4-[(acetyloxy)methyl]-5-(β-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-, (2aS,4aS,5S,7bS)-
  • Asperuloside
  • 1H-2,6-Dioxacyclopent[cd]inden-1-one, 4-[(acetyloxy)methyl]-5-(β-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-, [2aS-(2aα,4aα,5α,7bα)]-
  • Cyclopenta[c]pyran-4-carboxylic acid, 1α-(β-D-glucosyloxy)-1,4aα,5,7aα-tetrahydro-5β-hydroxy-7-(hydroxymethyl)-, γ-lactone, 7-acetate
  • (2aS,4aS,5S,7bS)-4-[(Acetyloxy)methyl]-5-(β-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-1H-2,6-dioxacyclopent[cd]inden-1-one

Deleted or Replaced CAS Registry Numbers

99772-07-3, 1395-14-8, 2608-40-4, 25311-38-0

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