Methyl 8,9-epoxyabietan-18-oate
Basic information
- CAS
13008-79-2- Standard SMILES
COC(=O)C1(C)CCCC2(C)C1CCC13CC(C(C)C)CCC12O3- InChIKey
MCWWVGQSDLJOAP-UHFFFAOYSA-N- Molecular formula
- C21H34O3
- Average molar mass
- 334.5 g/mol
- Monoisotopic mass
- 334.25079494
Names & identifiers
- Preferred name
- Methyl 8,9-epoxyabietan-18-oate
- IUPAC
- methyl 2,6-dimethyl-12-propan-2-yl-15-oxatetracyclo[8.4.1.01,10.02,7]pentadecane-6-carboxylate
Names & synonyms
13008-79-2methyl 8,9-epoxyabietan-18-oateNSC149550DTXSID90926588NSC-149550
Database identifiers
- CAS
13008-79-2- PubChem CID
- 288372
- DTXSID
DTXSID90926588
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 557
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…