Desacetylcinobufotalin
CAS Registry Number®
4099-30-3
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CAS Name
DesacetylcinobufotalinMolecular Formula
C24H32O6Molecular Mass
416.51Cite 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 ) (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-
Deleted or Replaced CAS Registry Numbers
61854-81-7