Digoxigenin diacetate
Molecular Formula:
C27H38O7
InChI: InChI=1/C27H38O7/c1-15(28)33-19-7-9-25(3)18(12-19)5-6-21-22(25)13-23(34-16(2)29)26(4)20(8-10-27(21,26)31)17-11-24(30)32-14-17/h11,18-23,31H,5-10,12-14H2,1-4H3/t18-,19+,20-,21u,22u,23-,25+,26+,27+/m1/s1
InChIKey: InChIKey=PERJXZOIRVHGPJ-QLFFASRYBK
SMILES: CC(=O)OC1CCC2(C(C1)CCC3C2CC(C4(C3(CCC4C5=CC(=O)OC5)O)C)OC(=O)C)C
Names:
Diacetyldigoxigenin
Digoxigenin diacetate
3,12-Diacetyldigoxigenin
3-beta,12-beta,14-Trihydroxy-5-beta-card-20(22)-enolide 3,12-diacetate
5-beta-CARD-20(22)-ENOLIDE, 3-beta,12-beta,14-TRIHYDROXY-, 3,12-DIACETATE
6078-59-7
[(3S,5R,10S,12R,13S,14S,17S)-12-acetyloxy-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] acetate
Registries:
PubChem CID 22455
PubChem ID 165109
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