[6-Hydroxy-5,9-Dimethyl-7-Oxo-1-[(E)-4-Oxopent-2-En-2-Yl]-8-(2-Oxopropanoylamino)Benzo[f][1,3]Benzodioxin-10-Yl] Acetate
[CAS# 36108-44-8]

Identification

• Name: [6-Hydroxy-5,9-Dimethyl-7-Oxo-1-[(E)-4-Oxopent-2-En-2-Yl]-8-(2-Oxopropanoylamino)Benzo[f][1,3]Benzodioxin-10-Yl] Acetate
• Synonyms: [6-Hydroxy-5,9-Dimethyl-1-[(E)-1-Methyl-3-Oxo-But-1-Enyl]-7-Oxo-8-(2-Oxopropanoylamino)Benzo[F][1,3]Benzodioxin-10-Yl] Acetate; Acetic Acid [8-(1,2-Dioxopropylamino)-6-Hydroxy-5,9-Dimethyl-1-[(E)-1-Methyl-3-Oxobut-1-Enyl]-7-Oxo-10-Benzo[F][1,3]Benzodioxinyl] Ester; Acetic Acid [6-Hydroxy-7-Keto-1-[(E)-3-Keto-1-Methyl-But-1-Enyl]-5,9-Dimethyl-8-Pyruvamido-Benzo[F][1,3]Benzodioxin-10-Yl] Ester
• Molecular Formula: C₂₄H₂₃NO₉
• Molecular Weight: 469.45
• CAS Registry Number: 36108-44-8
• SMILES: CC3=C1OCOC(=C1C2=C(OC(=O)C)C(=C(NC(=O)C(=O)C)C(=O)C2=C3O)C)C(/C)=C/C(=O)C
• InChI: 1S/C24H23NO9/c1-9(7-10(2)26)21-17-15-16(19(29)12(4)22(17)33-8-32-21)20(30)18(25-24(31)13(5)27)11(3)23(15)34-14(6)28/h7,29H,8H2,1-6H3,(H,25,31)/b9-7+
• InChIKey: HPPCQOVVWQZCQG-VQHVLOKHSA-N

Properties

• Density: 1.416g/cm³ (Cal.)