Basic information
- CAS
427-79-2- Standard SMILES
C=C1C[C@]23C[C@@]1(O)CC[C@@H]2c1cccc(C)c1[C@@H]3C(=O)O- InChIKey
IFYWTLQMNWNCFH-WCZJQEMASA-N- Molecular formula
- C18H20O3
- Average molar mass
- 284.3 g/mol
- Monoisotopic mass
- 284.1412445
Overview
Allogibberic acid is a member of fluorenes.
Names & identifiers
- Preferred name
- (4balpha,10beta)-7-Hydroxy-1-methyl-8-methylenegibba-1,3,4a(10a)-triene-10-carboxylic acid
- IUPAC
- (1S,2R,9S,12S)-12-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadeca-3,5,7-triene-2-carboxylic acid
- English name
- Allogibberic acid
- Molecular formula
- C18H20O3
- Molecular weight
- 284.35
Names & synonyms
Allogibberic acid427-79-2DTXSID30331713(4balpha,10beta)-7-Hydroxy-1-methyl-8-methylenegibba-1,3,4a(10a)-triene-10-carboxylic acidRefChem:110809DTXCID80282807CHEBI:2598CHEMBL2359602C09061BRD-K58279370-001-01-6AC1L9C2WSCHEMBL13336636
Show more names
(4bα)-7-Hydroxy-1-methyl-8-methylenegibba-1,3,4a(10a)-triene-10β-carboxylic acidGibba-1,3,4a(10a)-triene-10-carboxylic acid, 7-hydroxy-1-methyl-8-methylene-, (4bα,10β)-
BDBM50561593Q271057277-Hydroxy-1-methyl-8-methylidene-4balpha-gibba-1(10a),2,4-triene-10beta-carboxylic acid(1S,2R,9S,12S)-12-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadeca-3,5,7-triene-2-carboxylic acid
Database identifiers
- CAS
427-79-2- PubChem CID
- 442001
- DTXSID
DTXSID30331713- ChEMBL
CHEMBL2359602- ChEBI
CHEBI:2598- Nikkaji
- J12.463J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 513
Chemistry & industry
Additional notes
DefinitionChEBI: Allogibberic acid is a member of fluorenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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