Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Gibberellic Acid

Graphical representations:


View large 3D structure

Molecular Formula: C19H22O6

Natural Isotopic Abundance Mass: 346.37438

Mono-Isotopic Molecular Masses:

  • C12N14: 346.1416384388
  • C13N14: 365.205380357
  • C12N15: 346.1416384388
  • C13N15: 365.205380357

InChI string: InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1

PubChem Compound (CID): 6466
CAS Registry number: 77-06-5 16202-20-3 7121-55-3 1405-96-5 58915-44-9 125-67-7
Thomson Pharma: 00373098
CCRIS: 4820
ChemIDplus: 000077065
R&D Chemicals: 6536
ChemSpider: 6223
DiscoveryGate: 6466
KEGG Compound ID: NCI-C55823
EINECS: 201-001-0
Caswell No.: 467
NCGC: NCGC00091033-01
EPA Pesticide Chemical Code: 043801
HSDB: 712
Sigma-Aldrich: PS49_SUPELCO
Beilstein Handbook Reference: 5-18-09-00269
PDB Compound ID: GA3

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,