EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:142116 - 2α-methyl-gibberellin A4

ChEBI IDCHEBI:142116
ChEBI Name2α-methyl-gibberellin A4
Stars
ASCII Name2alpha-methyl-gibberellin A4
DefinitionAn alkyl-gibberellin that is gibberellin A4 carrying an extra methyl substituent at position 2α (3α using gibbane skeletal numbering).
Last Modified5 September 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H26O5
Net Charge0
Average Mass346.423
Monoisotopic Mass346.17802
SMILES[H][C@]12CC[C@]3([H])[C@](CC1=C)(C2)[C@@H](C(=O)O)[C@@]1([H])[C@@]32C[C@@H](C)[C@H](O)[C@@]1(C)C(=O)O2
InChIInChI=1S/C20H26O5/c1-9-6-19-8-11(9)4-5-12(19)20-7-10(2)15(21)18(3,17(24)25-20)14(20)13(19)16(22)23/h10-15,21H,1,4-8H2,2-3H3,(H,22,23)/t10-,11-,12-,13-,14-,15+,18+,19+,20-/m1/s1
InChIKeyZEYLFUFMBZVHQE-WNXLCILNSA-N
ChEBI Ontology
Outgoing Relation(s)
2α-methyl-gibberellin A4 (CHEBI:142116) is a alkyl-gibberellin (CHEBI:142113)
IUPAC Name 
(1S,2S,3R,4aR,4bR,7R,9aR,10S,10aR)-2-hydroxy-1,3-dimethyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
Synonyms  Source
(1S,2S,3S,4aR,4bR,7R,9aR,10S,10aR)-2-hydroxy-1,3-dimethyl-8-methylene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acidIUPAC
2α-MeGA4ChEBI
Citations