(2aR,3R,5S,5aR,6R,7R,8S,8aR,8bR)-3,5-Bis(Acetyloxy)-7-((3R,5S)-5-(Acetyloxy)-3-(3-Furanyl)-2-Methyl-1-Cyclopenten-1-Yl)-8-(Benzoyloxy)Decahydro-2a,5a,7-Trimethyl-2H-Naphtho(1,8-bc)Furan-6-Acetic Acid Methyl Ester
[CAS# 76689-95-7]

Identification

• Name: (2aR,3R,5S,5aR,6R,7R,8S,8aR,8bR)-3,5-Bis(Acetyloxy)-7-((3R,5S)-5-(Acetyloxy)-3-(3-Furanyl)-2-Methyl-1-Cyclopenten-1-Yl)-8-(Benzoyloxy)Decahydro-2a,5a,7-Trimethyl-2H-Naphtho(1,8-bc)Furan-6-Acetic Acid Methyl Ester
• Molecular Formula: C₄₀H₄₈O₁₂
• Molecular Weight: 720.81
• CAS Registry Number: 76689-95-7
• SMILES: [C@]24(C1[C@@H](OC[C@@]1([C@H](OC(=O)C)C[C@@H]2OC(=O)C)C)[C@H](OC(=O)C3=CC=CC=C3)[C@]([C@@H]4CC(OC)=O)(C5=C([C@@H](C[C@@H]5OC(=O)C)C6=COC=C6)C)C)C
• InChI: 1S/C40H48O12/c1-21-27(26-14-15-47-19-26)16-28(49-22(2)41)33(21)40(7)29(17-32(44)46-8)39(6)31(51-24(4)43)18-30(50-23(3)42)38(5)20-48-34(35(38)39)36(40)52-37(45)25-12-10-9-11-13-25/h9-15,19,27-31,34-36H,16-18,20H2,1-8H3/t27-,28+,29-,30-,31+,34-,35?,36+,38-,39+,40-/m1/s1
• InChIKey: NOANSNPNWFTAEY-RXWVJSADSA-N

Properties

• Density: 1.284g/cm³ (Cal.)
• Boiling point: 716.863°C at 760 mmHg (Cal.)
• Flash point: 387.345°C (Cal.)