Digitoxigenin-3-beta-L-alanyl ester
Molecular Formula:
C26H39NO5
InChI: InChI=1/C26H39NO5/c1-15(27)23(29)32-18-6-9-24(2)17(13-18)4-5-21-20(24)7-10-25(3)19(8-11-26(21,25)30)16-12-22(28)31-14-16/h12,15,17-21,30H,4-11,13-14,27H2,1-3H3/t15-,17u,18?,19+,20-,21+,24-,25+,26?/m0/s1
InChIKey: InChIKey=OGAWWRVDBJTMJG-WHFAYNKXBX
SMILES: CC(C(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)C)N
Names:
Digitoxigenin-3-beta-L-alanyl ester
3-beta,14-Dihydroxy-5-beta-card-20(22)-enolide 3-ester with L-alanine
42716-81-4
5-beta-Card-20(22)-enolide, 3-beta,14-dihydroxy-, 3-(2-aminopropionate) (ester), L-
5-beta-CARD-20(22)-ENOLIDE, 3-beta,14-DIHYDROXY-, 3-(2-AMINOPROPIONATE) (ester),
[(8R,9S,10S,13R,17S)-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] (2S)-2-aminopropanoate
Registries:
PubChem CID 3033001
PubChem ID 180287
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