Digitoxigenin-3-beta-D-alanyl ester
Molecular Formula:
C26H39NO5
InChI: InChI=1/C26H39NO5/c1-15(27)23(30)32-26-11-8-19(16-12-22(29)31-14-16)25(26,3)10-7-20-21(26)5-4-17-13-18(28)6-9-24(17,20)2/h12,15,17-21,28H,4-11,13-14,27H2,1-3H3/t15-,17u,18?,19-,20+,21-,24+,25-,26?/m1/s1
InChIKey: InChIKey=WNXQKMQRLMCQAB-YMMIRWQEBW
SMILES: CC(C(=O)OC12CCC(C1(CCC3C2CCC4C3(CCC(C4)O)C)C)C5=CC(=O)OC5)N
Names:
Digitoxigenin-3-beta-D-alanyl ester
3-beta,14-Dihydroxy-5-beta-card-20(22)-enolide 3-ester with D-alanine
5-beta-Card-20(22)-enolide, 3-beta,14-dihydroxy-, 3-(2-aminopropionate) (ester), D-
5-beta-CARD-20(22)-ENOLIDE, 3-beta,14-DIHYDROXY-, 3-(2-AMINOPROPIONATE) (ester),
81130-95-2
[(8R,9S,10S,13R,17S)-3-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-14-yl] (2R)-2-aminopropanoate
Registries:
PubChem CID 3033686
PubChem ID 192215
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