Gibberellic acid

Synonyms: Gibberellin A3, "Gibberellin", "Gibreskol", "Cekugib", "Brellin", "Grocel", "Gibberellin X", "Gibberellic acid GA3", "Gib-Tabs", "Pro-Gibb", "Pro-Gibb Plus", "Gib-Sol", "Gibberellins A4A7", "Gibefol", "Regulex", "Activol GA", "Pgr-iv", "Acide gibberellique", "Gibberellins", "Berelex", "GA3", "Gibberellinsaeure", "UNII-BU0A7MWB6L", "Gibrescol", "Ryzup", "Acide gibberellique [ISO-French]", "(+)-Gibberellic Acid", "Gibbrel"

Source: Gibberellic acid is a natural product, which is used widely in horticultural crops for improving fruit set.

Identifiers:

IUPAC Name: (1R,2R,5S,8S,9S,10R,11S,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
CAS Number: 77-06-5
PubChem ID: 6466
InChiKey: IXORZMNAPKEEDV-OBDJNFEBSA-N
Canonical SMILES: CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O

Structural Properties:

Molecular Formula: C₁₉H₂₂O₆
Molecular Weight: 346,400

Pharmacophore Features:

Number of bond donors: 3
Number of bond acceptors: 6
Number of atoms different from hydrogen: 25

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Evidence Supporting This Chemical as an Emerging Contaminant

Cerar, S., & Mali, N. (2016). Assessment of presence, origin and seasonal variations of persistent organic pollutants in groundwater by means of passive sampling and multivariate statistical analysis. Journal of Geochemical Exploration, 170, 78-93.

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