more general categories
information about this item
03. Biological Effects of Specific Chemicals
03. Biological Effects of Specific Chemicals
3'''-O-acetyldigitoxin [CHEBI:53773] (1)
05. Industrial Uses
05. Industrial Uses
3'''-O-acetyldigitoxin [CHEBI:53773] (1)
3'''-O-acetyldigitoxin [CHEBI:53773] (1)
08. Chemical Category
08. Chemical Category
3'''-O-acetyldigitoxin [CHEBI:53773] (1)
3'''-O-acetyldigitoxin [CHEBI:53773] (1)
3'''-O-acetyldigitoxin [CHEBI:53773] (1)
ChEBI Compound Accession Identifier :
[CHEBI:53773]
ChEBI Compound Description :
A cardenolide glycoside compound consisting of digitoxin having an acetyl substituent at the 3-position on the D-ribo-hexopyranosyl residue at the non-reducing end.
ChEBI Compound Identification Number :
53773
ChEBI InChI Value :
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
ChEBI InChIKey Value :
HPMZBILYSWLILX-UMDUKNJSSA-N
ChEBI Compound Name :
3'''-O-acetyldigitoxin
ChEBI SMILES Value :
[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(C)=O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1
ChEBI Substance ID :
87246632
ChEBI URL :
ChEBI:53773
ChemSpider ID :
NS
Ontomatica Chemical Accession Key (OnChAKey) :
HPMZBILYSWLILX_UMDUKNJSSA_N_000_000000
PubChem Compound ID :
5284512