Methyl 8,14-epoxyabiet-12-en-18-oate
Basic information
- CAS
25859-59-0- Standard SMILES
COC(=O)C1(C)CCCC2(C)C1CCC13OC1C(C(C)C)=CCC23- InChIKey
GJXHDHSFRNFOKH-UHFFFAOYSA-N- Molecular formula
- C21H32O3
- Average molar mass
- 332.5 g/mol
- Monoisotopic mass
- 332.23514488
Names & identifiers
- Preferred name
- Methyl 8,14-epoxyabiet-12-en-18-oate
- IUPAC
- methyl 5,9-dimethyl-13-propan-2-yl-15-oxatetracyclo[8.5.0.01,14.04,9]pentadec-12-ene-5-carboxylate
Names & synonyms
25859-59-0methyl 8,14-epoxyabiet-12-en-18-oateNSC146189DTXSID60948752NSC-146189
Database identifiers
- CAS
25859-59-0- PubChem CID
- 286952
- DTXSID
DTXSID60948752
Properties
Computed structural properties
- XLogP
- 4.2
- 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
- 594
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Compound notes
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