(1R,2R,5S,8S,9S,10R,11R,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



Compound number:
MolPort-002-507-417
CAS number: 77-06-5
IUPAC:
(1R,2R,5S,8S,9S,10R,11R,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
IUPAC traditional:
gibberellic acid
SMILES:
C[C@]12[C@H]3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)C=C[C@@H]2O |r,c:25,THB:24:23:2:19.18|
InChI key:
IXORZMNAPKEEDV-SNTJWBGVSA-N
Molecular formula:
C19H22O6
Molecular weight: 346.379
Solubility: not available

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More Information

Compound Identifiers
Compound number: MolPort-002-507-417
CAS number: 77-06-5

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000100035092
MFCD00778329
(1R,2R,5S,8S,9S,10R,11R,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
(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
2,4a,7-Trihydroxy-1-methyl-8-methylenegibb-3-ene-1,10-dicarboxylic acid 1,4a-lactone
5,12-dihydroxy-11-methyl-6-methylene-16-oxo-15-oxapentacyclo[9.3.2.1~5,8~.0~1,10~.0~2,8~]heptadec-13-ene-9-carboxylic acid
Berelex
Gibberellic acid
Gibberellic acid A3
Gibberellic acid (GA3)
Gibberellin A3
Giberillic 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
InChI key: IXORZMNAPKEEDV-SNTJWBGVSA-N

Calculated Properties
Molecular formula: C19H22O6
Molecular weight: 346.379

Other

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