Basic information
- CAS
60259-79-2- Standard SMILES
C=C1CCCC2(C)C(OC(C)=O)C=C3C(C)(CCC3(O)C(C)C)CC12O- InChIKey
MBPCOXMDKYJLDC-UHFFFAOYSA-N- Molecular formula
- C22H34O4
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.24570956
Names & identifiers
- Preferred name
- Dolatriol 6-acetate
- 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
Names & synonyms
Dolatriol 6-acetate60259-79-2NSC267236DTXSID90313191NSC-267236DOLABELLA (B712568K038)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
Database identifiers
- CAS
60259-79-2- PubChem CID
- 320292
- DTXSID
DTXSID90313191
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 665
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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