Desacetylcinobufotalin

CAS Registry Number®

4099-30-3
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CAS Name

Desacetylcinobufotalin

Molecular Formula

C24H32O6

Molecular Mass

416.51

Cite this Page

Desacetylcinobufotalin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4099-30-3 (retrieved 2024-09-06) (CAS RN: 4099-30-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    251-261 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H32O6/c1-21-8-5-14(25)11-23(21,28)10-7-16-15(21)6-9-22(2)18(13-3-4-17(26)29-12-13)19(27)20-24(16,22)30-20/h3-4,12,14-16,18-20,25,27-28H,5-11H2,1-2H3/t14-,15-,16+,18-,19+,20+,21+,22+,23-,24+/m0/s1

InChIKey

InChIKey=FRYICJTUIXEEGK-NNWVIVGYSA-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@](O)(CC5)C[C@@H](O)CC6)[H])[H]

Canonical SMILES

O=C1OC=C(C=C1)C2C(O)C3OC34C5CCC6(O)CC(O)CCC6(C)C5CCC24C

Other Names for this Substance

  • Bufa-20,22-dienolide, 14,15-epoxy-3,5,16-trihydroxy-, (3β,5β,15β,16β)-
  • 5β-Bufa-20,22-dienolide, 14,15β-epoxy-3β,5,16β-trihydroxy-
  • 14,15-Epoxy-14H-cyclopenta[a]phenanthrene, bufa-20,22-dienolide deriv.
  • (3β,5β,15β,16β)-14,15-Epoxy-3,5,16-trihydroxybufa-20,22-dienolide
  • β-Bufa-20,22-dienolide, 14,15β-epoxy-3β,15β,16β-trihydroxy-

View All

Deleted or Replaced CAS Registry Numbers

61854-81-7