AC1MIDI6

methyl 6-[[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]-6-oxohexanoate

Also Known As: Card-20(22)-enolide, 14-hydroxy-3-((((6-methoxy-1,6-dioxohexyl)amino)acetyl)oxy)-, (3-beta,5-beta)-|14-Hydroxy-3-{[N-(1-hydroxy-6-methoxy-6-oxohexylidene)glycyl]oxy}card-20(22)-enolide|(14xi)-14-Hydroxy-3beta-{[N-(1-hydroxy-6-methoxy-6-oxohexylidene)glycyl]oxy}-5beta-card-20(22)-enolide|methyl 6-[[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]-6-oxohexanoate|methyl 6-[[2-[[(3S,5R,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]oxy]-2-oxoethyl]amino]-6-oxohexanoate

Molecular Formula	C32H47NO8
Molecular Weight	573.33014 g/mol
LogP	4.0048
Topological Polar Surface Area	128.23 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	9
Exact Mass	573.33014
Monoisotopic Mass	573.33014
Heavy Atoms	41
Complexity	1087.569

Chemical Identifiers

CAS Number	81072-22-2
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)CNC(=O)CCCCC(=O)OC