Methyl 8,9-epoxypimaran-18-oate
Basic information
- CAS
42855-38-9- Standard SMILES
CCC1(C)CCC23OC2(CCC2C(C)(C(=O)OC)CCCC23C)C1- InChIKey
ZYTYEZCKOXKTLX-UHFFFAOYSA-N- Molecular formula
- C21H34O3
- Average molar mass
- 334.5 g/mol
- Monoisotopic mass
- 334.25079494
Names & identifiers
- Preferred name
- Methyl 8,9-epoxypimaran-18-oate
- IUPAC
- methyl 12-ethyl-2,6,12-trimethyl-15-oxatetracyclo[8.4.1.01,10.02,7]pentadecane-6-carboxylate
Names & synonyms
42855-38-9methyl 8,9-epoxypimaran-18-oateNSC159851DTXSID00303664NSC159850NSC-159850NSC-15985142855-40-3
Database identifiers
- CAS
42855-38-9、42855-40-3- PubChem CID
- 293328
- DTXSID
DTXSID00303664
Properties
Computed structural properties
- XLogP
- 4.8
- 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
- 573
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…