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CHEBI:142112 - 1β-methyl-gibberellin A4

ChEBI IDCHEBI:142112
ChEBI Name1β-methyl-gibberellin A4
Stars
ASCII Name1beta-methyl-gibberellin A4
DefinitionAn alkyl-gibberellin that is gibberellin A4 carrying an extra methyl substituent at position 1β (4β 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@]32OC(=O)[C@]1(C)[C@@H](O)C[C@H]2C
InChIInChI=1S/C20H26O5/c1-9-7-19-8-11(9)4-5-12(19)20-10(2)6-13(21)18(3,17(24)25-20)15(20)14(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
InChIKeyKZQAIGOHYNNLKU-GFGFXDNNSA-N
ChEBI Ontology
Outgoing Relation(s)
1β-methyl-gibberellin A4 (CHEBI:142112) is a alkyl-gibberellin (CHEBI:142113)
IUPAC Name 
(1S,2S,4R,4aR,4bR,7R,9aR,10S,10aR)-2-hydroxy-1,4-dimethyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
Synonyms  Source
1β-MeGA4IUPAC
(1S,2S,4R,4aR,4bR,7R,9aR,10S,10aR)-2-hydroxy-1,4-dimethyl-8-methylene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acidIUPAC
Citations