Bufalin

About This Item

Molecular Formula	C₂₄H₃₄O₄
CAS Number	465-21-4

FC-0494494

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Properties

Chemical Identifiers

IUPAC Name	5-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
SMILES	C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O
InChI Key	QEEBRPGZBVVINN-BMPKRDENSA-N
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

Physical Properties

Boiling Point	556.6±50.0 °C at 760 mmHg
Melting Point	242 - 243ºC
Flash Point	189.0±23.6 °C
Density	1.2±0.1 g/cm3

Safety Information

Hazard Class

Danger

Flash Point

189.0±23.6 °C

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.