Kadsurenone
[CAS# 95851-37-9]

Identification

• Name: Kadsurenone
• Synonyms: (2S,3R,3As)-5-Allyl-2-(3,4-Dimethoxyphenyl)-3A-Methoxy-3-Methyl-2,3-Dihydrobenzofuran-6-One; 6(2H)-Benzofuranone, 2-(3,4-Dimethoxyphenyl)-3,3A-Dihydro-3A-Methoxy-3-Methyl-5-(2-Propenyl)-, (2S-(2Alpha,3Beta,3Aalpha))-; Pdsp2_000721
• Molecular Formula: C₂₁H₂₄O₅
• Molecular Weight: 356.42
• CAS Registry Number: 95851-37-9
• SMILES: [C@]12(C(=CC(C(=C1)CC=C)=O)O[C@@H]([C@H]2C)C3=CC(=C(C=C3)OC)OC)OC
• InChI: 1S/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3/t13-,20+,21+/m1/s1
• InChIKey: VDYACOATPFOZIO-UBWHGVKJSA-N

Properties

• Density: 1.182g/cm³ (Cal.)
• Boiling point: 491.102°C at 760 mmHg (Cal.)
• Flash point: 214.193°C (Cal.)