EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:142117 - 2β-methyl-gibberellin A1

ChEBI IDCHEBI:142117
ChEBI Name2β-methyl-gibberellin A1
Stars
ASCII Name2beta-methyl-gibberellin A1
DefinitionAn alkyl-gibberellin that is gibberellin A1 carrying an extra methyl substituent at position 2β (3β using gibbane skeletal numbering).
Last Modified5 September 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H26O6
Net Charge0
Average Mass362.422
Monoisotopic Mass362.17294
SMILES[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(=O)O)[C@@]1([H])[C@@]23C[C@H](C)[C@H](O)[C@@]1(C)C(=O)O3
InChIInChI=1S/C20H26O6/c1-9-6-20-11-4-5-19(25)8-18(11,7-10(19)2)12(15(22)23)13(20)17(3,14(9)21)16(24)26-20/h9,11-14,21,25H,2,4-8H2,1,3H3,(H,22,23)/t9-,11+,12+,13+,14-,17-,18-,19-,20+/m0/s1
InChIKeyODSZHTGQPOFAMX-RGPIDNKUSA-N
ChEBI Ontology
Outgoing Relation(s)
2β-methyl-gibberellin A1 (CHEBI:142117) is a alkyl-gibberellin (CHEBI:142113)
IUPAC Name 
(1S,2S,3S,4aR,4bR,7S,9aS,10S,10aR)-2,7-dihydroxy-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,7S,9aS,10S,10aR)-2,7-dihydroxy-1,3-dimethyl-8-methylene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acidIUPAC
2β-MeGA1ChEBI
Citations