AC1MIDIC

[[2-[[(3S,5R,8R,9S,10S,13R,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-oxoethyl]amino]methyl 2,2-dimethylpropanoate

Also Known As: Card-20(22)-enolide, 3-((2,2-dimethyl-1-oxopropoxy)methylaminoacetoxy)-14-hydroxy-|Acetic acid, iminodi-, tert butyl ester, ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide|3-[(N-{[(2,2-Dimethylpropanoyl)oxy]methyl}glycyl)oxy]-14-hydroxycard-20(22)-enolide|(14xi)-3beta-[(N-{[(2,2-Dimethylpropanoyl)oxy]methyl}glycyl)oxy]-14-hydroxy-5beta-card-20(22)-enolide|[[2-[[(3S,5R,8R,9S,10S,13R,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-oxoethyl]amino]methyl 2,2-dimethylpropanoate

Molecular Formula	C31H47NO7
Molecular Weight	545.33527 g/mol
LogP	4.2916
Topological Polar Surface Area	111.16 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	545.33527
Monoisotopic Mass	545.33527
Heavy Atoms	39
Complexity	1032.4451

Chemical Identifiers

CAS Number	81072-24-4
SMILES	C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4(C3(CC[C@@H]4C5=CC(=O)OC5)O)C)OC(=O)CNCOC(=O)C(C)(C)C