Ouabagenin

CAS Registry Number®

508-52-1
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CAS Name

Ouabagenin

Molecular Formula

C23H34O8

Molecular Mass

438.51

Cite this Page

Ouabagenin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=508-52-1 (retrieved 2024-04-27) (CAS RN: 508-52-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    236.5 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C23H34O8/c1-20-9-16(26)19-15(23(20,30)5-3-14(20)12-6-18(28)31-10-12)2-4-21(29)8-13(25)7-17(27)22(19,21)11-24/h6,13-17,19,24-27,29-30H,2-5,7-11H2,1H3/t13-,14+,15+,16+,17+,19+,20+,21-,22+,23-/m0/s1

InChIKey

InChIKey=BXSABLKMKAINIU-QOHCMMFCSA-N

SMILES

C(O)[C@@]12[C@@]3([C@]([C@]4(O)[C@](C)(C[C@H]3O)[C@H](CC4)C5=CC(=O)OC5)(CC[C@]1(O)C[C@@H](O)C[C@H]2O)[H])[H]

Canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C4CCC5(O)CC(O)CC(O)C5(CO)C4C(O)CC23C

Other Names for this Substance

  • Card-20(22)-enolide, 1,3,5,11,14,19-hexahydroxy-, (1β,3β,5β,11α)-
  • Ouabagenin
  • 5β-Card-20(22)-enolide, 1β,3β,5,11α,14,19-hexahydroxy-
  • (1β,3β,5β,11α)-1,3,5,11,14,19-Hexahydroxycard-20(22)-enolide
  • 1β,3β,5,11α,14,19-Hexahydroxy-5β-20(22)-cardenolide

View All

Deleted or Replaced CAS Registry Numbers

21924-51-6

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