Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C20H30O2
- Molecular weight
- 302.5 g/mol
- IUPAC name
- (1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
- SMILES
- C[C@]1(CC[C@H]2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)O)C)C=C
- InChIKey
- MHVJRKBZMUDEEV-APQLOABGSA-N
- XLogP
- 5.5
- Polar surface area
- 37.3 Ų
- H-bond donors
- 1
- H-bond acceptors
- 2
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Subclass of
- carboxylic acid
- Has part
- carbon
- Mass
- 302.22458
Show 5 more facts
- found in taxon
- Abies holophylla
- Commons category
- Pimaric acid
- chemical formula
- C₂₀H₃₀O₂
- canonical SMILES
- CC1(CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C)C=C
- isomeric SMILES
- C[C@]1(CC[C@H]2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)O)C)C=C
Sources (2)
via Wikidata · CC0