Isolinearol
[(2S,4S,5S,6R,9S,10S,13S)-2,6-dihydroxy-5,9,14-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl acetate
Also Known As: Isolinearol|Oct-4t-en-2-on|3,7-Dihydroxykaur-15-en-19-yl acetate|[(2S,4S,5S,6R,9S,10S,13S)-2,6-dihydroxy-5,9,14-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl acetate|Kaur-15-ene-3,7,18-triol, 18-acetate, (3alpha,4beta,7beta)-|[(1R,2S,4S,5S,6R,9S,10S,13R)-2,6-Dihydroxy-5,9,14-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl acetate|3alpha,7beta-Dihydroxy-5beta,9beta,10alpha-kaur-15-en-19-yl acetate
| Molecular Formula | C22H34O4 |
|---|---|
| Molecular Weight | 362.2457 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.2457 |
| Monoisotopic Mass | 362.2457 |
| Heavy Atoms | 26 |
| Complexity | 642.0 |
Chemical Identifiers
| CAS Number | 37720-83-5 |
|---|---|
| SMILES | CC1=CC23C[C@@H]1CC[C@H]2[C@@]4(CC[C@H]([C@]([C@H]4C[C@@H]3O)(C)COC(=O)C)O)C |
| InChIKey | UFINZJLXAKIFHN-XJIOZIJQSA-N |
Product Overview
Isolinearol (CAS 37720-83-5), with molecular formula C22H34O4 and molecular weight 362.2457 g/mol. IUPAC: [(2S,4S,5S,6R,9S,10S,13S)-2,6-dihydroxy-5,9,14-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl acetate.