Chem
J-GLOBAL ID:201007062925623128   Nikkaji number:J2.777.646I

2,3-Dehydro-gibberellin A9

4aα-ヒドロキシ-1-メチル-8-メチレンギバ-2-エン-1α,10β-ジカルボン酸1,4a-ラクトン
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C19H22O4
Molecular formula furigana: C19-H22-O4
Molecular weight: 314.381
InChI: InChI=1S/C19H22O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h3,6,11-14H,1,4-5,7-9H2,2H3,(H,20,21)/t11-,12-,13-,14-,17-,18+,19-/m1/s1
InChI key: NJHXRWOUQCGQAV-YGNOGLJPSA-N
SMILES: C[C@]12C=CC[C@@]3(OC1=O)[C@@H]1CC[C@@H]4C[C@]1(CC4=C)[C@H]([C@H]23)C(=O)O
Systematic name  (3):
  • 4aα-ヒドロキシ-1-メチル-8-メチレンギバ-2-エン-1α,10β-ジカルボン酸1,4a-ラクトン
  • (1R,2R,5R,8R,9S,10R,11R)-11-メチル-6-メチリデン-16-オキソ-15-オキサペンタシクロ[9.3.2.15,8.01,10.02,8]ヘプタデカ-12-エン-9-カルボン酸
  • (1R,2R,5R,8R,9S,10R,11R)-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-12-ene-9-carboxylic acid
Other name (3):
  • 4aα-Hydroxy-1-methyl-8-methylenegibba-2-ene-1α,10β-dicarboxylic acid 1,4a-lactone
  • 2,3-Dehydro-gibberellin A9
  • 2,3-Didehydro-gibberellin A9
CAS registry number: 2531-21-7
KEGG COMPOUND: C11866
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