Chem
J-GLOBAL ID：201007081475260717   Nikkaji number：J2.777.716C

Gibberellin A53 aldehyde

ジベレリンA53アルデヒド
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： C20H28O4
Molecular formula furigana： C20-H28-O4
Molecular weight： 332.440
InChI： InChI=1S/C20H28O4/c1-12-9-19-11-20(12,24)8-5-14(19)17(2)6-4-7-18(3,16(22)23)15(17)13(19)10-21/h10,13-15,24H,1,4-9,11H2,2-3H3,(H,22,23)/t13-,14-,15-,17-,18+,19+,20-/m0/s1
InChI key： DHEPJQQWDJWPJY-XQIDNCIUSA-N
SMILES： C[C@@]12CCC[C@](C)([C@H]1[C@H](C=O)[C@@]13CC(=C)[C@@](O)(C1)CC[C@@H]23)C(=O)O
Systematic name  (3)：
  • (7S)-10β-ホルミル-7-ヒドロキシ-1,4aα-ジメチル-8-メチレンギバン-1α-カルボン酸
  • (1S,2S,3S,4R,8S,9S,12S)-2-ホルミル-12-ヒドロキシ-4,8-ジメチル-13-メチリデンテトラシクロ[10.2.1.01,9.03,8]ペンタデカン-4-カルボン酸
  • (1S,2S,3S,4R,8S,9S,12S)-2-formyl-12-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-4-carboxylic acid
Other name (3)：
  • (7S)-10β-Formyl-7-hydroxy-1,4aα-dimethyl-8-methylenegibbane-1α-carboxylic acid
  • Gibberellin A53 aldehyde
  • ジベレリンA53アルデヒド
CAS registry number： 85344-33-8
KEGG COMPOUND： C11905
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