| Synonyms |
Rupestonic acid;Pechueloic Acid;83161-56-2;2-[(5R,8S,8aS)-3,8-dimethyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]prop-2-enoic acid;5-Azuleneacetic acid,1,2,4,5,6,7,8,8a-octahydro-3,8-dimethyl-a-methylene-2-oxo-,[5R-(5a,8a,8ab)]-;115473-63-7;MEGxp0_001667;CHEMBL1956398;SCHEMBL13250880;ACon1_001383;CHEBI:183941;HY-N3016;AKOS040740904;NCGC00180565-01;NCGC00180565-02;DA-57577;MS-23517;CS-0022973;E88596;BRD-K13964656-001-01-2;2-((5r,8s,8as)-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-5-yl) acrylic acid; |
| IUPAC Name |
2-[(5R,8S,8aS)-3,8-dimethyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]prop-2-enoic acid |
| Molecular Weight |
444.5 |
| Molecular Formula |
C24H28O8 |
| Canonical SMILES |
C[C@@H]1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3[C@@H]([C@@H]1C)OC(=O)C)OCO4)OC)O)OC)OC |
| InChI |
InChI=1S/C15H20O3/c1-8-4-5-11(9(2)15(17)18)6-13-10(3)14(16)7-12(8)13/h8,11-12H,2,4-7H2,1,3H3,(H,17,18)/t8-,11+,12-/m0/s1 |
| InChIKey |
ZFHSKBJBODQVBX-AXTRIDKLSA-N |
| Boiling Point |
438.0±24.0°C at 760 mmHg |
| Melting Point |
128-130°C |
| Purity |
≥95% |
| Density |
1.12±0.1 g/cm3 |
| Solubility |
Soluble in Acetone, Chloroform, Dichloromethane, DMSO, Ethyl Acetate |
| Appearance |
Solid |
| Storage |
4°C, protect from light
*In solvent : -80°C, 6 months; -20°C, 1 month (protect from light) |
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