Basic information
- CAS
2531-21-7- Standard SMILES
C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CC=C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O- InChIKey
NJHXRWOUQCGQAV-YGNOGLJPSA-N- Molecular formula
- C19H22O4
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.15180918
Overview
2,3-didehydro-gibberellin A9 is a C19-gibberellin obtained by formal dehydrogenation across the 2,3-position of gibberellin A9. It has a role as a mouse metabolite. It is a C19-gibberellin and a gibberellin monocarboxylic acid. It is functionally related to a gibberellin A9.
Names & identifiers
- Preferred name
- 2,3-Didehydro-gibberellin A9
- IUPAC
- (1R,2R,5R,8R,9S,10R,11R)-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-12-ene-9-carboxylic acid
- English name
- 2,3-Didehydro Gibberellin A9
- Molecular formula
- C19H22O4
- Molecular weight
- 314.38
Names & synonyms
2,3-Didehydro-gibberellin A9(1R,2R,5R,8R,9S,10R,11R)-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-12-ene-9-carboxylic acid2,3-Didehydro Gibberellin A92531-21-71beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibb-2-ene-10beta-carboxylic acidCHEBI:29467LMPR0104170023Q27110085(1R,2R,5R,8R,9S,10R,11R)-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1(5,8).0(1,10).0(2,8)]heptadec-12-ene-9-carboxylic acidJ5XGibb-2-ene-1,10-dicarboxylic acid, 4a-hydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1α,4aα,4bβ,10β)-
Database identifiers
- CAS
2531-21-7- PubChem CID
- 5281986
- ChEBI
CHEBI:29467- Nikkaji
- J2.777.646I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 693
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C20 isoprenoids (diterpenes) [PR0104]
Physicochemical properties
- Boiling point
- 528.4 · 528.4±50.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 4.31 · 4.31±0.40(Predicted)
Chemistry & industry
Applications
Uses2,3-Didehydro Gibberellin A9 is a derivative of the gibberellin family of plants known for affecting either the stem growth or elongation.
Suppliers5 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Additional notes
DefinitionChEBI: A C19-gibberellin obtained by formal dehydrogenation across the 2,3-position of gibberellin A9.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…