Gibberellin A95
Basic information
- CAS
78259-50-4- Standard SMILES
C=C1CC23CC1(O)CCC2C12C=CCC(C)(C(=O)O1)C2C3C(=O)O- InChIKey
UXLXLQYIDWLPKX-UHFFFAOYSA-N- Molecular formula
- C19H22O5
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.1467238
Overview
Gibberellin A95 is a C19-gibberellin and a gibberellin monocarboxylic acid.
Names & identifiers
- Preferred name
- Gibberellin A95
- IUPAC
- 5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
- English name
- Gibberellin A95
- Molecular formula
- C19H22O5
- Molecular weight
- 330.38
Names & synonyms
Gibberellin A9578259-50-45-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadec-13-ene-9-carboxylic acid5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo(9.3.2.1^(5,8).0^(1,10).0^(2,8))heptadec-13-ene-9-carboxylic acid5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo(9.3.2.15,8.01,10.02,8)heptadec-13-ene-9-carboxylic acidRefChem:143134NSC224287SCHEMBL29395543DTXSID90310286CHEBI:175223NSC-224287
Show more names
Gibb-3-ene-1,10-dicarboxylic acid, 4a,7-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1α,4aα,4bβ,10β)- (9CI)
7-Hydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 740
Physicochemical properties
- Melting point
- 237 °C · >237°C (dec.)
- Boiling point
- 573.8 · 573.8±50.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Amber Vial, -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 4.17 · 4.17±0.60(Predicted)
- color
- White to Off-White
Chemistry & industry
Applications
UsesGibberellin A95 is a derivative of Gibberelic Acid (G377450), and a stereoisomer of Gibberelin A5 (G377465).
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Gibberellin A95 is a gibberellin monocarboxylic acid and a C19-gibberellin.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…