Acetyldigitoxin

Acetyldigitoxin

Systematic (IUPAC) name
[(2R,3R,4S,6S)-3-Hydroxy-6-[(2R,4S,6S)-4-hydroxy-6-[(2R,3S,4S,6R)-4-hydroxy-6-[ [(5R,8R,9S,10S,13R,14S,17R')-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxan-4-yl] acetate
Clinical data
Pregnancy cat.	?
Legal status	?
Identifiers
CAS number	1111-39-3 N
ATC code	C01AA01
PubChem	CID 68949
DrugBank	DB00511
ChemSpider	4447572 Y
UNII	0ZV4Q4L2FU Y
KEGG	D06881 Y
ChEBI	CHEBI:53773 Y
ChEMBL	CHEMBL1200634 N
Chemical data
Formula	C43H66O14
Mol. mass	806.976 g/mol
SMILES	eMolecules & PubChem
InChI InChI=1S/C43H66O14/c1-21-38(48)33(54-24(4)44)19-37(51-21)57-40-23(3)53-36(18-32(40)46)56-39-22(2)52-35(17-31(39)45)55-27-9-12-41(5)26(16-27)7-8-30-29(41)10-13-42(6)28(11-14-43(30,42)49)25-15-34(47)50-20-25/h15,21-23,26-33,35-40,45-46,48-49H,7-14,16-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29+,30-,31+,32+,33+,35+,36+,37+,38-,39-,40-,41+,42-,43+/m1/s1 Y Key:HPMZBILYSWLILX-UMDUKNJSSA-N Y
N (what is this?)  (verify)

Acetyldigitoxin is a cardiac glycoside. It is an acetyl derivative of digitoxin.