Ouabain

CAS Registry Number®

630-60-4

CAS Name

Ouabain

Molecular Formula

C29H44O12

Molecular Mass

584.65

Cite this Page

Ouabain.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=630-60-4 (retrieved 2024-11-23) (CAS RN: 630-60-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    200 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1

InChIKey

InChIKey=LPMXVESGRSUGHW-HBYQJFLCSA-N

SMILES

C(O)[C@@]12[C@@]3([C@]([C@]4(O)[C@](C)(C[C@H]3O)[C@H](CC4)C=5COC(=O)C5)(CC[C@]1(O)C[C@@H](O[C@H]6[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O6)C[C@H]2O)[H])[H]

Canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C4CCC5(O)CC(OC6OC(C)C(O)C(O)C6O)CC(O)C5(CO)C4C(O)CC23C

Other Names for this Substance

  • Card-20(22)-enolide, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-1,5,11,14,19-pentahydroxy-, (1β,3β,5β,11α)-
  • Ouabain
  • (1β,3β,5β,11α)-3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-1,5,11,14,19-pentahydroxycard-20(22)-enolide
  • g-Strophanthin
  • Acocantherin

View All

Deleted or Replaced CAS Registry Numbers

36-06-6

CAS INSIGHTSTM
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