3-Acetylcevin
[(1R,6S,9S,10R,11S,12S,14R,19S,22R,23S,25R)-1,10,11,12,14,23-hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] acetate
Also Known As: Acetylcevin|3-Acetylcevin|RefChem:1067265|AC1L1R1L|4,9-Epoxycevane-3-alpha,4-beta,12,14,16-beta,17,20-heptol 3-acetate|CEVANE-3-alpha,4-beta,12,14,16-beta,17,20-HEPTOL, 4,9-EPOXY-, 3-ACETATE
| Molecular Formula | C29H45NO9 |
|---|---|
| Molecular Weight | 551.30945 g/mol |
| LogP | 0.04 |
| Topological Polar Surface Area | 160.15 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 1 |
| Exact Mass | 551.30945 |
| Heavy Atoms | 39 |
| Complexity | 1102.6 |
Chemical Identifiers
| CAS Number | 28111-34-4 |
|---|---|
| SMILES | C[C@H]1CC[C@H]2[C@@]([C@]3([C@H](C[C@]4(C5CCC6[C@]7([C@]5(C[C@]4(C3CN2C1)O)O[C@@]6([C@@H](CC7)OC(=O)C)O)C)O)O)O)(C)O |
Product Overview
3-Acetylcevin (CAS 28111-34-4), with molecular formula C29H45NO9 and molecular weight 551.30945 g/mol. IUPAC: [(1R,6S,9S,10R,11S,12S,14R,19S,22R,23S,25R)-1,10,11,12,14,23-hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] acetate.
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