Methyl 8,14:12,13-diepoxyabietan-18-oate
Basic information
- CAS
24390-58-7- Standard SMILES
COC(=O)C1(C)CCCC2(C)C1CCC13OC1C1(C(C)C)OC1CC23- InChIKey
WNZDGJFVLRXZST-UHFFFAOYSA-N- Molecular formula
- C21H32O4
- Average molar mass
- 348.5 g/mol
- Monoisotopic mass
- 348.2300595
Names & identifiers
- Preferred name
- Methyl 8,14:12,13-diepoxyabietan-18-oate
- IUPAC
- methyl 5,9-dimethyl-14-propan-2-yl-13,16-dioxapentacyclo[8.6.0.01,15.04,9.012,14]hexadecane-5-carboxylate
Names & synonyms
24390-58-7methyl 8,14:12,13-diepoxyabietan-18-oateNSC146185DTXSID60947260NSC-146185
Database identifiers
- CAS
24390-58-7- PubChem CID
- 286948
- DTXSID
DTXSID60947260
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 51.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 631
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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