(1R,4aS,7E,9R,11aR)-4-[(1R,2R)-1,2-Diacetoxy-4-Methyl-3-Pentenyl]-1,4a,5,6,9,10,11,11alpha-Octahydro-7-Methyl-11-Methylenecyclonona[c]Pyran-1,9-Diol Diacetate
[CAS# 64504-52-5]

Identification

• Name: (1R,4aS,7E,9R,11aR)-4-[(1R,2R)-1,2-Diacetoxy-4-Methyl-3-Pentenyl]-1,4a,5,6,9,10,11,11alpha-Octahydro-7-Methyl-11-Methylenecyclonona[c]Pyran-1,9-Diol Diacetate
• Synonyms: [(1R)-1-[Acetoxy-[(1S,4Z,6R,9R,10R)-6,10-Diacetoxy-4-Methyl-8-Methylene-11-Oxabicyclo[7.4.0]Trideca-4,12-Dien-13-Yl]Methyl]-3-Methyl-But-2-Enyl] Acetate; Acetic Acid [(1R)-1-[Acetoxy-[(1S,4Z,6R,9R,10R)-6,10-Diacetoxy-4-Methyl-8-Methylene-11-Oxabicyclo[7.4.0]Trideca-4,12-Dien-13-Yl]Methyl]-3-Methylbut-2-Enyl] Ester; Acetic Acid [(1R)-1-[Acetoxy-[(1S,4Z,6R,9R,10R)-6,10-Diacetoxy-4-Methyl-8-Methylene-11-Oxabicyclo[7.4.0]Trideca-4,12-Dien-13-Yl]Methyl]-3-Methyl-But-2-Enyl] Ester
• Molecular Formula: C₂₈H₃₈O₉
• Molecular Weight: 518.60
• CAS Registry Number: 64504-52-5
• SMILES: [C@H]12[C@@H](C(=CO[C@@H]1OC(=O)C)C(OC(=O)C)[C@H](OC(=O)C)C=C(C)C)CCC(=C\[C@H](OC(=O)C)CC2=C)/C
• InChI: 1S/C28H38O9/c1-15(2)11-25(35-19(6)30)27(36-20(7)31)24-14-33-28(37-21(8)32)26-17(4)13-22(34-18(5)29)12-16(3)9-10-23(24)26/h11-12,14,22-23,25-28H,4,9-10,13H2,1-3,5-8H3/b16-12-/t22-,23+,25+,26-,27?,28+/m0/s1
• InChIKey: JTACQGNVQPQYQN-KBPXYVMXSA-N

Properties

• Density: 1.165g/cm³ (Cal.)
• Boiling point: 582.958°C at 760 mmHg (Cal.)
• Flash point: 243.898°C (Cal.)