CAS Registry Number®
465-21-4
CAS Name
Bufalin
Molecular Formula
C24H34O4
Molecular Mass
386.52
Compound Properties
-
Melting Point (1)
242.5 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
Other Names and Identifiers
InChI
InChI=1S/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3/t16-,17+,18-,19+,20-,22+,23-,24+/m1/s1
InChIKey
InChIKey=QEEBRPGZBVVINN-BMPKRDENSA-N
SMILES
O[C@@]12[C@@](C)([C@H](CC1)C=3C=CC(=O)OC3)CC[C@]4([C@]2(CC[C@]5([C@]4(C)CC[C@H](O)C5)[H])[H])[H]
Canonical SMILES
O=C1OC=C(C=C1)C2CCC3(O)C4CCC5CC(O)CCC5(C)C4CCC23C
Other Names for this Substance
- Bufa-20,22-dienolide, 3,14-dihydroxy-, (3β,5β)-
- Bufalin
- 5β-Bufa-20,22-dienolide, 3β,14-dihydroxy-
- (3β,5β)-3,14-Dihydroxybufa-20,22-dienolide
- NSC 89595
- B 0261
Deleted or Replaced CAS Registry Numbers
2381-02-4
