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(1R,2R,5S,8S,9S,10R,11S,12S)-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 [125-67-7]

 



Identification
Copyright
CAS # 125-67-7, (1R,2R,5S,8S,9S,10R,11S,12S)-5,12-Dihydroxy-11-Methyl-6-Methylene-16-Oxo-15-Oxapentacyclo[9.3.2.1<Sup>5,8</Sup>.0<Sup>1,10</Sup>.0<Sup>2,8</Sup>]Heptadec-13-Ene-9-Carboxylic Acid
Name
(1R,2R,5S,8S,9S,10R,11S,12S)-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
Synonyms
(+)-Gibberellic acid; ########; (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
Molecular Formula
C19H22O6
Molecular Weight 346.37
CAS Registry Number
125-67-7
EINECS 204-749-6
SMILES
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
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
down Properties
Desity 1.5±0.1g/cm3 (Cal.)  ref.
Melting point 230°C (Expl.)  ref.
Boiling point 628.6±55.0°C at 760 mmHg (Cal.)  ref.
Flash point 231.4±25.0°C (Cal.)  ref.
Rerfaction index 1.661 (Cal.)
down Safety Data
Safety Description Minimize exposure.   ref.
down References
Market Analysis Reports
 
List of Reports Available for (1R,2R,5S,8S,9S,10R,11S,12S)-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
 

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