Gibberellin A14 aldehyde
Basic information
- CAS
35470-76-9- Standard SMILES
C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C=O- InChIKey
YMDYUWHAQBYOMU-HYAYUQHRSA-N- Molecular formula
- C20H28O4
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.19875937
Overview
Gibberellin A14 aldehyde is a C20-gibberellin obtained by selective reduction of the 10beta-carboxy group of gibberellin A14. It is a C20-gibberellin and a gibberellin monocarboxylic acid. It is functionally related to a gibberellin A14. It is a conjugate acid of a gibberellin A14 aldehyde(1-).
Names & identifiers
- Preferred name
- Gibberellin A14 aldehyde
- IUPAC
- (1R,2S,3S,4S,5S,8S,9S,12R)-2-formyl-5-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-4-carboxylic acid
Names & synonyms
Gibberellin A14 aldehyde35470-76-9(1R,2S,3S,4S,5S,8S,9S,12R)-2-formyl-5-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-4-carboxylic acidCHEBI:29589DTXSID70332087LMPR0104170010Q27110161(1R,2S,3S,4S,5S,8S,9S,12R)-2-formyl-5-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-4-carboxylic acid10beta-formyl-2beta-hydroxy-1beta,4a-dimethyl-8-methylidene-4aalpha,4bbeta-gibbane-1alpha-carboxylic acid10beta-Formyl-2beta-hydroxy-1beta,4abeta-dimethyl-8-methylidene-4bbeta-gibbane-1alpha-carboxylic acid
Database identifiers
- CAS
35470-76-9- PubChem CID
- 443446
- DTXSID
DTXSID70332087- ChEBI
CHEBI:29589- Nikkaji
- J2.777.627B
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 627
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C20 isoprenoids (diterpenes) [PR0104]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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