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

Identification

• Classification: Food additive >> Enzyme
• Name: (1R,2R,5S,8S,9S,10R,11S,12S)-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
• Synonyms: (+)-Gibberellic acid; ########; (1R,2R,5S,8S,9S,10R,11R,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1^5,8.0^1,10.0^2,8]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

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Melting point: 230°C (Expl.)
• Boiling point: 628.6±55.0°C at 760 mmHg (Cal.)
• Flash point: 231.4±25.0°C (Cal.)
• Refractive index: 1.661 (Cal.)

Safety Data

• Safety Description: Minimize exposure.

References

• (1): H.W. Thompson, R.A. Lalancette. (-)-Gibberic acid: hydrogen-bonding pattern of the monohydrate of a non-racemic tetracyclic [delta]-keto acid derivative of gibberellin A3, Acta Cryst C 2001 Volume 57 Part 7 Page 841-843