Desacetylcinobufagin

CAS Registry Number®

4026-95-3
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CAS Name

Desacetylcinobufagin

Molecular Formula

C24H32O5

Molecular Mass

400.51

Cite this Page

Desacetylcinobufagin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4026-95-3 (retrieved 2024-09-19) (CAS RN: 4026-95-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    129-130 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H32O5/c1-22-9-7-15(25)11-14(22)4-5-17-16(22)8-10-23(2)19(13-3-6-18(26)28-12-13)20(27)21-24(17,23)29-21/h3,6,12,14-17,19-21,25,27H,4-5,7-11H2,1-2H3/t14-,15+,16+,17-,19+,20-,21-,22+,23-,24-/m1/s1

InChIKey

InChIKey=IXZHDDUFQVXHIL-UOAIQHMYSA-N

SMILES

C[C@]12[C@]3([C@](O3)([C@H](O)[C@@H]1C=4C=CC(=O)OC4)[H])[C@]5([C@](CC2)([C@]6(C)[C@](CC5)(C[C@@H](O)CC6)[H])[H])[H]

Canonical SMILES

O=C1OC=C(C=C1)C2C(O)C3OC34C5CCC6CC(O)CCC6(C)C5CCC24C

Other Names for this Substance

  • Bufa-20,22-dienolide, 14,15-epoxy-3,16-dihydroxy-, (3β,5β,15β,16β)-
  • 5β-Bufa-20,22-dienolide, 14,15β-epoxy-3β,16β-dihydroxy-
  • Cinobufagin, deacetyl-
  • (3β,5β,15β,16β)-14,15-Epoxy-3,16-dihydroxybufa-20,22-dienolide
  • Deacetylcinobufagin

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