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
Identifiers
CAS Number	1111-39-3^N
ATC code	C01AA01 (WHO)
PubChem	CID 68949
DrugBank	DB00511^Y
ChemSpider	4447572^Y
UNII	0ZV4Q4L2FU^Y
KEGG	D06881^Y
ChEBI	CHEBI:53773^Y
ChEMBL	CHEMBL1200634^N
Chemical data
Formula	C₄₃H₆₆O₁₄
Molar mass	806.976 g/mol
SMILES O=C\1OC/C(=C/1)[C@H]2CC[C@@]8(O)[C@]2(C)CC[C@H]7[C@H]8CC[C@H]6[C@]7(C)CC[C@H](O[C@@H]5O[C@@H]([C@@H](O[C@@H]4O[C@@H]([C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@@H](OC(=O)C)C3)[C@@H](O)C4)C)[C@@H](O)C5)C)C6
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
^NY (what is this?) (verify)

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

Cardiac glycosides (C01A)

Bufadienolides

Bufo	Arenobufagin Bufotalin Cinobufagin Marinobufagin

Scilla	Proscillaridin Scilliroside

Cardenolides

Digitalis	Acetyldigitoxin Acetyldigoxin Digitoxin^# Digoxin^# Lanatoside C Deslanoside Metildigoxin Gitoformate

Kalanchoe	Daigremontianin

Strophanthus	Ouabain (g-Strophanthin) k-Strophanthin Cymarin

Thevetia	Peruvoside

^#WHO-EM
^‡Withdrawn from market
Clinical trials:
- ^†Phase III
- ^§Never to phase III

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