John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=14eSy3yNpDs SpectraBase Spectrum ID=K6dHNfTrvEV

(accessed ).
Gibberelic acid
SpectraBase Compound ID 14eSy3yNpDs
InChI 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
InChIKey IXORZMNAPKEEDV-OBDJNFEBSA-N
Mol Weight 346.38 g/mol
Molecular Formula C19H22O6
Exact Mass 346.141639 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K6dHNfTrvEV
Name Gibberellic acid
Acquisition Mode SIMULTANEOUS
CAS Registry Number 77-06-5; 16202-20-3; 7121-55-3
Comments Saturated Gibberellic acid - Sigma-Aldrich Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K
Copyright Copyright © 2006-2020 John Wiley & Sons, Inc. Portions provided by BioMagResBank(BMRB) and the Board of Regents of the University of Wisconsin System. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C19 H22 O6
IUPAC Name 2,7-Dihydroxy-1-methyl-8-methylene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
InChI 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
InChIKey IXORZMNAPKEEDV-OBDJNFEBSA-N
PubChem Compound ID 6466
SMILES CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O; C[C@@]12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O
Source File Reference bmse000317
SpectraBase Batch ID AwBWQ2uBJYI