Basic information
- Standard SMILES
C[C@@H]1[C@H](OCc2ccc(C(=O)O)cc2)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@]24OO3- InChIKey
UVNHKOOJXSALHN-LBIQBRDBSA-N- Molecular formula
- C23H30O7
- Average molar mass
- 418.5 g/mol
Overview
See also: beta-Artelinic acid (annotation moved to).
Names & identifiers
- Preferred name
- 4-[[(1R,4R,5S,8S,9S,10R,12R,13S)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxymethyl]benzoic acid
- IUPAC
- 4-[[(1R,4R,5S,8S,9S,10R,12R,13S)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxymethyl]benzoic acid
Names & synonyms
CHEMBL1208264UVNHKOOJXSALHN-LBIQBRDBSA-N
Database identifiers
- PubChem CID
- 71719035
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 662
Related reactions
3 records
Compound notes
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