Annosquamosin A
[(5R,9S,13S,14S)-5-formyl-14-hydroxy-5,9-dimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate
Also Known As: Annosquamosin A|(formyl-hydroxy-dimethyl-[?]yl)methyl acetate|16beta-hydroxy-17-acetoxy-ent-kauran-19-al|16.beta.-Hydroxy-17-acetoxy-ent-kauran-19-al|[(5R,9S,13S,14S)-5-formyl-14-hydroxy-5,9-dimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate|[(5R,9S,13S,14S)-5-formyl-14-hydroxy-5,9-dimethyltetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecan-14-yl]methyl acetate|[(5R,9S,13S,14S)-5-ormyl-14-hydroxy-5,9-dimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate
| Molecular Formula | C22H34O4 |
|---|---|
| Molecular Weight | 362.2457 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.2457 |
| Monoisotopic Mass | 362.2457 |
| Heavy Atoms | 26 |
| Complexity | 617.0 |
Chemical Identifiers
| CAS Number | 192584-48-8 |
|---|---|
| SMILES | CC(=O)OC[C@@]1(CC23CCC4[C@](CCC[C@]4(C2CC[C@H]1C3)C)(C)C=O)O |
| InChIKey | FCHGRGOUMXZTFS-QZRFJHGNSA-N |
Product Overview
Annosquamosin A (CAS 192584-48-8), with molecular formula C22H34O4 and molecular weight 362.2457 g/mol. IUPAC: [(5R,9S,13S,14S)-5-formyl-14-hydroxy-5,9-dimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate.
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