Gibberellin A29-catabolite
Basic information
- CAS
76040-29-4- Standard SMILES
C=C1C[C@]23C[C@@]1(O)CC[C@H]2C1=CC(=O)C[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O- InChIKey
CFYSKMXAQIWPNE-SBECISRQSA-N- Molecular formula
- C19H22O6
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.14163842
Overview
Gibberellin A29-catabolite is a C19-gibberellin.
Names & identifiers
- Preferred name
- Gibberellin A29-catabolite
- IUPAC
- (1S,2S,3S,4R,9R,12S)-12-hydroxy-4-methyl-13-methylidene-6-oxotetracyclo[10.2.1.01,9.03,8]pentadec-7-ene-2,4-dicarboxylic acid
Names & synonyms
Gibberellin A29-catabolite76040-29-4(1S,2S,3S,4R,9R,12S)-12-hydroxy-4-methyl-13-methylidene-6-oxotetracyclo[10.2.1.01,9.03,8]pentadec-7-ene-2,4-dicarboxylic acidCHEBI:29592DTXSID30332088LMPR0104170012Q271101627-Hydroxy-1beta-methyl-8-methylidene-3-oxo-4bbeta-gibb-4-ene-1alpha,10beta-dicarboxylic acid
Database identifiers
- CAS
76040-29-4- PubChem CID
- 443448
- DTXSID
DTXSID30332088- ChEBI
CHEBI:29592- Nikkaji
- J2.777.635C
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 766
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C20 isoprenoids (diterpenes) [PR0104]
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Related reactions
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Compound notes
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