16β-(Acetyloxy)-14,15β-epoxy-3β-hydroxy-19-oxo-5β-bufa-20,22-dienolide

CAS	24512-59-2
Synonyms	19-Oxocinobufagin
IUPAC Name	[(1R,2S,4R,5R,6R,7R,10S,11R,14S,16R)-11-formyl-14-hydroxy-7-methyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate
Molecular Weight	456.54
Molecular Formula	C26H32O7
Canonical SMILES	CC(=O)O[C@@H]1[C@@H]([C@]2(CC[C@H]3[C@H]([C@@]24[C@@H]1O4)CC[C@H]5[C@@]3(CC[C@@H](C5)O)C=O)C)C6=COC(=O)C=C6
InChI	InChI=1S/C26H32O7/c1-14(28)32-22-21(15-3-6-20(30)31-12-15)24(2)9-8-18-19(26(24)23(22)33-26)5-4-16-11-17(29)7-10-25(16,18)13-27/h3,6,12-13,16-19,21-23,29H,4-5,7-11H2,1-2H3/t16-,17+,18+,19-,21+,22-,23-,24-,25-,26-/m1/s1
InChI Key	FRUGXBQKMCOIBP-CDIOGTMDSA-N
Boiling Point	630.1±55.0 °C
Purity	98%
Density	1.34±0.1 g/ml
Appearance	Solid