8 Beta-(4-Acetoxy-5-Hydroxytigloyloxy)Costunolide

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Catalog Number ACM109770867
CAS 109770-86-7
IUPAC Name [(3aR,4R,6Z,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-acetyloxy-2-(hydroxymethyl)but-2-enoate
Synonyms 2-Butenoic Acid, 4-(Acetyloxy)-2-(Hydroxymethyl)-, (3Ar,4R,6Z,11Ar)-2,3,3A,4,5,8,9,11A-Octahydro-6,10-Dimethyl-3-Methylene-2-Oxocyclodeca[B]Furan-4-Yl Ester, (2E)-
Molecular Weight 404.45
Molecular Formula C22H28O7
Canonical SMILES CC1=CC2C(C(CC(=CCC1)C)OC(=O)C(=CCOC(=O)C)CO)C(=C)C(=O)O2
Inchi InChI=1S/C22H28O7/c1-13-6-5-7-14(2)11-19(20-15(3)21(25)28-18(20)10-13)29-22(26)17(12-23)8-9-27-16(4)24/h7-8,10,18-20,23H,3,5-6,9,11-12H2,1-2,4H3/b13-10+,14-7-,17-8+/t18-,19-,20+/m1/s1
InChIKey CUJJANFZVGSCSV-GTOUVVHCSA-N
Boiling Point 579.6±50.0 °C at 760 mmHg
Flash Point 197.2±23.6 °C
Purity 98%
Density 1.2±0.1 g/cm3
Appearance Powder
Refractive Index 1.542

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