AC1L5VLN
[(1S,2R,5S,7R,9S,11R,12S,15R,16S)-15-acetyl-5-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-15-yl] acetate
Also Known As: KST-1A4505|(3|A,5|A,6|A)-3-hydroxy-20-oxo-5,6-epoxypregnan-17-yl acetate|(3beta,5alpha,6alpha)-3-hydroxy-20-oxo-5,6-epoxypregnan-17-yl acetate|[(1S,2R,5S,7R,9S,11R,12S,15R,16S)-15-acetyl-5-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-15-yl] acetate
| Molecular Formula | C23H34O5 |
|---|---|
| Molecular Weight | 390.24063 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 390.24063 |
| Monoisotopic Mass | 390.24063 |
| Heavy Atoms | 28 |
| Complexity | 735.0 |
Chemical Identifiers
| CAS Number | 3919-49-1 |
|---|---|
| SMILES | CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]4[C@@]5([C@@]3(CC[C@@H](C5)O)C)O4)C)OC(=O)C |
| InChIKey | MVSNUOQYIMBCLK-XLWMTSDTSA-N |
Product Overview
AC1L5VLN (CAS 3919-49-1), with molecular formula C23H34O5 and molecular weight 390.24063 g/mol. IUPAC: [(1S,2R,5S,7R,9S,11R,12S,15R,16S)-15-acetyl-5-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-15-yl] acetate.
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