AC1MIDII

[[(2R)-1-[[(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]-1-oxopropan-2-yl]amino]methyl 2,2-dimethylpropanoate

Also Known As: Alanine, N-(carboxymethyl)-, N-tert-butyl ester, 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide, D-|3-[(N-{[(2,2-Dimethylpropanoyl)oxy]methyl}alanyl)oxy]-14-hydroxycard-20(22)-enolide|(14xi)-3-[(N-{[(2,2-Dimethylpropanoyl)oxy]methyl}-D-alanyl)oxy]-14-hydroxycard-20(22)-enolide|[[(2R)-1-[[(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]-1-oxopropan-2-yl]amino]methyl 2,2-dimethylpropanoate|Card-20(22)-enolide, 3,14-dihydroxy-, 3-ester with N-(2,2-dimethyl-1-oxopropoxy)methylalanine

Molecular Formula	C32H49NO7
Molecular Weight	559.3509 g/mol
LogP	4.6801
Topological Polar Surface Area	111.16 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	559.3509
Monoisotopic Mass	559.3509
Heavy Atoms	40
Complexity	1063.9724

Chemical Identifiers

CAS Number	81072-25-5
SMILES	C[C@H](C(=O)OC1CC[C@@]2([C@H]3CC[C@@]4([C@H](CCC4([C@@H]3CCC2C1)O)C5=CC(=O)OC5)C)C)NCOC(=O)C(C)(C)C