Basic information
- CAS
42855-29-8- Standard SMILES
CCC1(C)CC(=O)C2=C(C1)C(=O)CC1C(C)(C(=O)OC)CCCC21C- InChIKey
KCXVIAIVQYOJLG-UHFFFAOYSA-N- Molecular formula
- C21H30O4
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.21440943
Names & identifiers
- Preferred name
- Methyl 7,11-dioxopimar-8-en-18-oate
- IUPAC
- methyl 7-ethyl-1,4a,7-trimethyl-5,9-dioxo-3,4,6,8,10,10a-hexahydro-2H-phenanthrene-1-carboxylate
Names & synonyms
42855-29-8methyl 7,11-dioxopimar-8-en-18-oateNSC149543DTXSID50302182NSC-149543
Database identifiers
- CAS
42855-29-8- PubChem CID
- 288366
- DTXSID
DTXSID50302182
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 675
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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