Basic information
- CAS
19436-07-8- Standard SMILES
C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C=O- InChIKey
ZCTUNYRXJKLWPY-LLCOKINKSA-N- Molecular formula
- C20H28O3
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.20384475
Overview
Gibberellin A12 aldehyde is a C20-gibberellin that is gibberellin A12 in which the carboxy group at position 10 has been reduced to the corresponding aldehyde. It is an aldehyde and a C20-gibberellin. It is functionally related to a gibberellin A12. It is a conjugate acid of a gibberellin A12 aldehyde(1-).
Names & identifiers
- Preferred name
- Gibberellin A12 aldehyde
- IUPAC
- (1R,2S,3S,4R,8S,9S,12R)-2-formyl-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-4-carboxylic acid
- English name
- gibberellin A12 aldehyde
- Molecular formula
- C20H28O3
- Molecular weight
- 316.44
Names & synonyms
Gibberellin A12 aldehydeGibberellin-A-12-aldehydeGA12-aldehyde19436-07-8CHEBI:15610(1R,2S,3S,4R,8S,9S,12R)-2-formyl-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-4-carboxylic acid(1R,2S,3S,4R,8S,9S,12R)-2-formyl-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-4-carboxylic acid 10beta-formyl-1beta,4a-dimethyl-8-methylidene-4aalpha,4bbeta-gibbane-1alpha-carboxylic acid(1R,2S,3S,4R,8S,9S,12R)-2-formyl-4,8-dimethyl-13-methylidenetetracyclo(10.2.1.0(1,9).0(3,8))pentadecane-4-carboxylic acid 10beta-formyl-1beta,4a-dimethyl-8-methylidene-4aalpha,4bbeta-gibbane-1alpha-carboxylic acid(1R,2S,3S,4R,8S,9S,12R)-2-formyl-4,8-dimethyl-13-methylidenetetracyclo(10.2.1.01,9.03,8)pentadecane-4-carboxylic acidRefChem:143091Gibbane-1-carboxylic acid, 10-formyl-1,4a-dimethyl-8-methylene-, (1alpha,4aalpha,4bbeta,10beta)-(1R,4aS,4bS,7R,9aR,10S,10aS)-10-formyl-1,4a-dimethyl-8-methylenedodecahydro-1H-7,9a-methanobenzo[a]azulene-1-carboxylic acid
Show more names
GA12aldGibbane-1-carboxylic acid, 10-formyl-1,4a-dimethyl-8-methylene-, (1α,4aα,4bβ,10β)-
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 596
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C20 isoprenoids (diterpenes) [PR0104]
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 159 · 159-163 °C
- Boiling point
- 454.7 · 454.7±45.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 4.53 · 4.53±0.60(Predicted)
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Suppliers6 total
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上海智溯科生物科技有限公司021-58056897 15399714481 · [email protected]
Additional notes
DefinitionChEBI: A C20-gibberellin that is gibberellin A12 in which the carboxy group at position 10 has been reduced to the corresponding aldehyde.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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