Pimar-8-en-18-oic acid
Basic information
- CAS
7715-73-3- Standard SMILES
CCC1(C)CCC2=C(CCC3C(C)(C(=O)O)CCCC23C)C1- InChIKey
AWLONGNNEKMSPC-UHFFFAOYSA-N- Molecular formula
- C20H32O2
- Average molar mass
- 304.5 g/mol
- Monoisotopic mass
- 304.24023026
Names & identifiers
- Preferred name
- Pimar-8-en-18-oic acid
- IUPAC
- 7-ethyl-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
Names & synonyms
7715-73-3pimar-8-en-18-oic acidNSC149540SCHEMBL12547307DTXSID90998407NSC-149540
Database identifiers
- CAS
7715-73-3- PubChem CID
- 288364
- DTXSID
DTXSID90998407
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 520
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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