Deoxygedunin
[CAS# 21963-95-1]

Identification

• Name: Deoxygedunin
• Synonyms: [1-(3-Furyl)-4B,7,7,10A,12A-Pentamethyl-3,8-Dioxo-5,6,6A,10B,11,12-Hexahydro-1H-Naphtho[3,4-F]Isochromen-5-Yl] Acetate; Acetic Acid [1-(3-Furyl)-4B,7,7,10A,12A-Pentamethyl-3,8-Dioxo-5,6,6A,10B,11,12-Hexahydro-1H-Naphtho[3,4-F]Isochromen-5-Yl] Ester; Acetic Acid [1-(3-Furyl)-3,8-Diketo-4B,7,7,10A,12A-Pentamethyl-5,6,6A,10B,11,12-Hexahydro-1H-Naphtho[3,4-F]Isochromen-5-Yl] Ester
• Molecular Formula: C₂₈H₃₄O₆
• Molecular Weight: 466.57
• CAS Registry Number: 21963-95-1
• SMILES: C5=C(C3OC(=O)C=C4C2(C(C1(C(C(C(=O)C=C1)(C)C)CC2OC(=O)C)C)CCC34C)C)C=CO5
• InChI: 1S/C28H34O6/c1-16(29)33-22-13-19-25(2,3)21(30)8-11-26(19,4)18-7-10-27(5)20(28(18,22)6)14-23(31)34-24(27)17-9-12-32-15-17/h8-9,11-12,14-15,18-19,22,24H,7,10,13H2,1-6H3
• InChIKey: VOUDTVRGPAGHGA-UHFFFAOYSA-N

Properties

• Density: 1.223g/cm³ (Cal.)
• Boiling point: 586.096°C at 760 mmHg (Cal.)
• Flash point: 308.26°C (Cal.)