Germerine
[(1S,2S,6S,9S,10S,11R,12R,13S,15S,16R,19S,22S,23S)-10,12,14,16,23-pentahydroxy-6,10,19-trimethyl-13-(2-methylbutanoyloxy)-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 2-hydroxy-2-methylbutanoate
Also Known As: Germerine|4,7,14,16,20-Pentahydroxy-15-[(2-methylbutanoyl)oxy]-4,9-epoxycevan-3-yl 2-hydroxy-2-methylbutanoate|(5xi,9xi,14xi)-4alpha,7alpha,14,16beta,20-Pentahydroxy-15alpha-[(2-methylbutanoyl)oxy]-4,9-epoxycevan-3beta-yl 2-hydroxy-2-methylbutanoate|[(1S,2S,6S,9S,10S,11R,12R,13S,15S,16R,19S,22S,23S)-10,12,14,16,23-Pentahydroxy-6,10,19-trimethyl-13-(2-methylbutanoyloxy)-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 2-hydroxy-2-methylbutanoate
| Molecular Formula | C37H59NO11 |
|---|---|
| Molecular Weight | 693.4088 g/mol |
| LogP | 1.4948 |
| Topological Polar Surface Area | 186.45 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 693.4088 |
| Monoisotopic Mass | 693.4088 |
| Heavy Atoms | 49 |
| Complexity | 1357.0885 |
Chemical Identifiers
| CAS Number | 508-67-8 |
|---|---|
| SMILES | CCC(C)C(=O)O[C@H]1[C@@H]([C@H]2[C@@H](CN3C[C@H](CC[C@H]3[C@@]2(C)O)C)[C@H]4C1([C@@H]5[C@@H](CC6[C@]7(C5(C4)O[C@@]6([C@H](CC7)OC(=O)C(C)(CC)O)O)C)O)O)O |
Product Overview
Germerine (CAS 508-67-8), with molecular formula C37H59NO11 and molecular weight 693.4088 g/mol. IUPAC: [(1S,2S,6S,9S,10S,11R,12R,13S,15S,16R,19S,22S,23S)-10,12,14,16,23-pentahydroxy-6,10,19-trimethyl-13-(2-methylbutanoyloxy)-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 2-hydroxy-2-methylbutanoate.