Basic information
- CAS
1448-96-0- Standard SMILES
C=C1C(=O)O[C@H](CCCCCCCCCCCCC)[C@H]1C(=O)O- InChIKey
WZYZDHVPSZCEEP-SJORKVTESA-N- Molecular formula
- C19H32O4
- Average molar mass
- 324.5 g/mol
- Monoisotopic mass
- 324.2300595
Overview
trans-(+)-Tetrahydro-4-methylene-5-oxo-2-tridecyl-3-furancarboxylic aid has been reported in Rhizoplaca melanophthalma, Hypotrachyna cirrhata, and Cetraria aculeata with data available.
Names & identifiers
- Preferred name
- (+)-Protolichesteric Acid
- IUPAC
- (2R,3S)-4-methylidene-5-oxo-2-tridecyloxolane-3-carboxylic acid
Names & synonyms
(+)-Protolichesteric Acid1448-96-0NSC 5900ent-Protolichesterinic AcidSCHEMBL7913878trans-(+)-Tetrahydro-4-methylene-5-oxo-2-tridecyl-3-furancarboxylic aid3-Furancarboxylic aid, tetrahydro-4-methylene-5-oxo-2-tridecyl-, trans-(+)-
Database identifiers
- CAS
1448-96-0- PubChem CID
- 65078
- Nikkaji
- J56.258K
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 389
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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