Basic information
- CAS
93219-11-5- Standard SMILES
C=C1C(=O)C[C@H]2[C@@H]3CC[C@H](C(=O)O)[C@]12CC3(C)C- InChIKey
SMAWCSOVJJHIOI-DDIVZENXSA-N- Molecular formula
- C15H20O3
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.1412445
Overview
Terrecyclic acid A is a diterpenoid.
Names & identifiers
- Preferred name
- (-)-Terrecyclic acid A
- IUPAC
- (1R,5S,6S,9S)-11,11-dimethyl-2-methylidene-3-oxotricyclo[4.3.2.01,5]undecane-9-carboxylic acid
Names & synonyms
(-)-Terrecyclic acid ATerrecyclic acid A, (-)-Terrecyclic acid (-)-form [MI]UNII-OW4R74E2RXOW4R74E2RX93219-11-53a,7-Ethano-3ah-indene-4-carboxylic acid, octahydro-8,8-dimethyl-3-methylene-2-oxo-, (3aR,4S,7S,7aS)-NSC366225CHEMBL469079CHEBI:211435Q27285878
Database identifiers
- CAS
93219-11-5- PubChem CID
- 339487
- ChEMBL
CHEMBL469079- ChEBI
CHEBI:211435- UNII
- OW4R74E2RX
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 462
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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