Gibberellic acid

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Systematic / IUPAC Name: 5,12-Dihydroxy-11-methyl-6-methylene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid

ID: Reference1287

Other Names: Gibb-3-ene-1,10-dicarboxylic acid, 2,4a,7-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone;
(3S,3aR,4S,4aS,7S,9aR,9bR,12S)-7,12-Dihydroxy-3-methyl-6-methylene-2-oxoperhydro-4a,7-methano-9b,3-propenoazuleno(1,2-b)furan-4-carboxylic acid;
(3S,3aS,4S,4aS,6S,8aR,8bR,11S)-6,11-Dihydroxy-3-methyl-12-methylene-2-oxo-4a,6-ethano-3,8b-prop-1-enoperhydroindeno(1,2-b)furan-4-carboxylic acid;
2,4α,7-Trihydroxy-1-methyl-8-methylenegibb-3-ene-1,10 β-dicarboxylic acid 1,4α-lactone;
(1S,2S,4aR,4bR,7S,9aS,10S,10aR)-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 ; more

Formula: C19H22O6

Class: Endogenous Metabolites Steroids/Vitamins/Hormones

Spectral Data

Gibberellic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments LTQ Orbitrap XL; Orbitrap Elite; Q Exactive HF Orbitrap; Q Exactive Orbitrap
No. of Spectral Trees 5
No. of Spectra 492
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 3/25/2015 1:13:16 PM
View Mass Spec Data > >

Identificators

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
InChI Key IXORZMNAPKEEDV-OBDJNFEBSA-N
Canonical SMILES O=C(O)C5C21CC(O)(\C(=C)C1)CCC2C\34OC(=O)C(C)(C(O)/C=C/3)C45
CAS 77065
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Other Names Gibb-3-ene-1,10-dicarboxylic acid, 2,4a,7-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone;
(3S,3aR,4S,4aS,7S,9aR,9bR,12S)-7,12-Dihydroxy-3-methyl-6-methylene-2-oxoperhydro-4a,7-methano-9b,3-propenoazuleno(1,2-b)furan-4-carboxylic acid;
(3S,3aS,4S,4aS,6S,8aR,8bR,11S)-6,11-Dihydroxy-3-methyl-12-methylene-2-oxo-4a,6-ethano-3,8b-prop-1-enoperhydroindeno(1,2-b)furan-4-carboxylic acid;
2,4α,7-Trihydroxy-1-methyl-8-methylenegibb-3-ene-1,10 β-dicarboxylic acid 1,4α-lactone;
(1S,2S,4aR,4bR,7S,9aS,10S,10aR)-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;
(1R,2R,5S,8S,9S,10R,11S,12S)-5,12-Dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1(5,8) 0(1,10) 0(2,8)]heptadec-13-ene-9-carboxylic acid;
Brellin;
Gibreskol;
Grocel;
Gibberellin X;
Pro-gibb;
Gib-sol;
Gibefol;
Regulex;
Activol GA;
Activol;
Berelex;
Gibbrel;
Gibrescol;
Ryzup;
(+)-Gibberellic acid

In Other Databases

ChemIDPlus 000077065
ChemSpider 6223
KEGG C01699
ChEMBL CHEMBL1232952
PubChem 6466
Wikipedia Gibberellic acid
ChEBI CHEBI:28833
HMDb HMDB03559