Molephantinin
[CAS# 56221-98-8]

Identification

• Name: Molephantinin
• Synonyms: [(3Ar,4S,6E,9Z,11S,11As)-11-Hydroxy-6,10-Dimethyl-3-Methylene-2,8-Dioxo-4,5,11,11A-Tetrahydro-3Ah-Cyclodeca[B]Furan-4-Yl] (E)-2-Methylbut-2-Enoate; (E)-2-Methylbut-2-Enoic Acid [(3Ar,4S,6E,9Z,11S,11As)-11-Hydroxy-6,10-Dimethyl-3-Methylene-2,8-Dioxo-4,5,11,11A-Tetrahydro-3Ah-Cyclodeca[B]Furan-4-Yl] Ester; (E)-2-Methylbut-2-Enoic Acid [(3Ar,4S,6E,9Z,11S,11As)-11-Hydroxy-2,8-Diketo-6,10-Dimethyl-3-Methylene-4,5,11,11A-Tetrahydro-3Ah-Cyclodeca[D]Furan-4-Yl] Ester
• Molecular Formula: C₂₀H₂₄O₆
• Molecular Weight: 360.41
• CAS Registry Number: 56221-98-8
• SMILES: [C@@H]12[C@H](OC(=O)C1=C)[C@@H](O)\C(=C/C(=O)\C=C(C[C@@H]2OC(=O)C(/C)=C/C)/C)C
• InChI: 1S/C20H24O6/c1-6-11(3)19(23)25-15-8-10(2)7-14(21)9-12(4)17(22)18-16(15)13(5)20(24)26-18/h6-7,9,15-18,22H,5,8H2,1-4H3/b10-7+,11-6+,12-9-/t15-,16+,17-,18-/m0/s1
• InChIKey: VUURQISRHJCAJY-CXRMMEALSA-N

Properties

• Density: 1.212g/cm³ (Cal.)
• Boiling point: 561.083°C at 760 mmHg (Cal.)
• Flash point: 197.133°C (Cal.)