CAS Registry Number®
470-37-1
CAS Name
Cinobufagin
Molecular Formula
C26H34O6
Molecular Mass
442.54
Compound Properties
-
Melting Point (1)
222-223 °C
-
Density (2)
1.261 g/cm³
Source(s)
- (1) Jensen, H.; Journal of Biological Chemistry, (1934), 104, 307-16, CAplus
- (2) Crowfoot, Dorothy; Chemistry & Industry (London, United Kingdom), (1935), 568-9, CAplus
Other Names and Identifiers
InChI
InChI=1S/C26H34O6/c1-14(27)31-22-21(15-4-7-20(29)30-13-15)25(3)11-9-18-19(26(25)23(22)32-26)6-5-16-12-17(28)8-10-24(16,18)2/h4,7,13,16-19,21-23,28H,5-6,8-12H2,1-3H3/t16-,17+,18+,19-,21+,22-,23-,24+,25-,26-/m1/s1
InChIKey
InChIKey=SCULJPGYOQQXTK-OLRINKBESA-N
SMILES
C[C@]12[C@]3([C@](O3)([C@H](OC(C)=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(OC(=O)C)C3OC34C5CCC6CC(O)CCC6(C)C5CCC24C
Other Names for this Substance
- Bufa-20,22-dienolide, 16-(acetyloxy)-14,15-epoxy-3-hydroxy-, (3β,5β,15β,16β)-
- 5β-Bufa-20,22-dienolide, 14,15β-epoxy-3β,16β-dihydroxy-, 16-acetate
- Cinobufagin
- 14,15-Epoxy-14H-cyclopenta[a]phenanthrene, bufa-20,22-dienolide deriv.
- (3β,5β,15β,16β)-16-(Acetyloxy)-14,15-epoxy-3-hydroxybufa-20,22-dienolide
- Cinobufagine
- NSC 90325
- Cinobufagenin
- Cinobufogenin
Deleted or Replaced CAS Registry Numbers
1476-69-3, 25875-35-8
