AC1MIDI9
8-[[2-[[(3S,5R,8R,9S,10S,13R,14S,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]-8-oxooctanoic acid
Also Known As: Card-20(22)-enolide, 3-((((7-carboxy-1-oxohexyl)amino)acetyl)oxy)-14-hydroxy-, (3-beta,5-beta)-|3-{[N-(7-Carboxy-1-hydroxyheptylidene)glycyl]oxy}-14-hydroxycard-20(22)-enolide|3beta-{[N-(7-Carboxy-1-hydroxyheptylidene)glycyl]oxy}-14-hydroxy-5beta-card-20(22)-enolide|8-[[2-[[(3S,5R,8R,9S,10S,13R,14S,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]-8-oxooctanoic acid
| Molecular Formula | C33H49NO8 |
|---|---|
| Molecular Weight | 587.3458 g/mol |
| LogP | 4.6966 |
| Topological Polar Surface Area | 139.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 587.3458 |
| Monoisotopic Mass | 587.3458 |
| Heavy Atoms | 42 |
| Complexity | 1103.6088 |
Chemical Identifiers
| CAS Number | 81072-23-3 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)OC(=O)CNC(=O)CCCCCCC(=O)O |
Product Overview
AC1MIDI9 (CAS 81072-23-3), with molecular formula C33H49NO8 and molecular weight 587.3458 g/mol. IUPAC: 8-[[2-[[(3S,5R,8R,9S,10S,13R,14S,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]-8-oxooctanoic acid.