Bufalin

Datasheet MSDS
Catalog Number
ANC05954
Product Name
Bufalin
Structure
Bufalin
CAS Number
465-21-4
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
Synonyms
22-dienolide,3,14-dihydroxy-,(3-beta,5-beta)-bufa-2; 22-dienolide,3-beta,14-dihydroxy-5-beta-bufa-2; BUFA-20,22-DIENOLIDE,3,14-DIHYDROXY-,(3B,5B)-; BUFALIN; (3BETA,5BETA)-3,14-DIHYDROXYBUFA-20,22-DIENOLIDE; 3-BETA-14-DIHYDROXY-5-BETA-BUFA-20,22-DIENOLIDE; 3BETA,14-DIHYDROXY-5BETA,20[22]-BUFADIENOLIDE; 5BETA,20[22]-BUFADIENOLIDE-3BETA,14-DIOL
Molecular Formula
C24H34O4
Molecular Weight
386.52
Appearance
Powder
Purity
>98%
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
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
InChI Key
QEEBRPGZBVVINN-BMPKRDENSA-N
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