Dolatriol 6-acetate
(3,9a-dihydroxy-5a,10a-dimethyl-9-methylidene-3-propan-2-yl-2,5,6,7,8,10-hexahydro-1H-benzo[f]azulen-5-yl) acetate
Also Known As: Dolatriol 6-acetate|DOLABELLA (B712568K038)|(3,9a-dihydroxy-5a,10a-dimethyl-9-methylidene-3-propan-2-yl-|(3,9a-dihydroxy-5a,10a-dimethyl-9-methylidene-3-propan-2-yl-2,5,6,7,8,10-hexahydro-1H-benzo[f]azulen-5-yl) acetate|1,4a-Dihydroxy-3a,8a-dimethyl-5-methylidene-1-(propan-2-yl)-1,2,3,3a,4,4a,5,6,7,8,8a,9-dodecahydrobenzo[f]azulen-9-yl acetate|Benz[f]azulene-1,4a,9(1H)-triol, 2,3,3a,4,5,6,7,8,8a,9-decahydro-3a,8a-dimethyl-5-methylene-1-(1-methylethyl)-, 9-acetate, (1.alpha.,3a.beta.,4a.beta.,8a.alpha.,9.alpha.)-
| Molecular Formula | C22H34O4 |
|---|---|
| Molecular Weight | 362.2457 g/mol |
| LogP | 2.9 |
| 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 | 665.0 |
Chemical Identifiers
| CAS Number | 60259-79-2 |
|---|---|
| SMILES | CC(C)C1(CCC2(C1=CC(C3(CCCC(=C)C3(C2)O)C)OC(=O)C)C)O |
| InChIKey | MBPCOXMDKYJLDC-UHFFFAOYSA-N |
Product Overview
Dolatriol 6-acetate (CAS 60259-79-2), with molecular formula C22H34O4 and molecular weight 362.2457 g/mol. IUPAC: (3,9a-dihydroxy-5a,10a-dimethyl-9-methylidene-3-propan-2-yl-2,5,6,7,8,10-hexahydro-1H-benzo[f]azulen-5-yl) acetate.