Methyl 2-[2-[(3aS,4R,5R,6aS)-5-Hydroxy-4-[(E,3S,5S)-3-Hydroxy-5-Methylnon-1-Enyl]-1,2,3,3a,4,5,6,6a-Octahydropentalen-2-Yl]Ethoxy]Acetate
[CAS# 139403-31-9]

Identification

• Name: Methyl 2-[2-[(3aS,4R,5R,6aS)-5-Hydroxy-4-[(E,3S,5S)-3-Hydroxy-5-Methylnon-1-Enyl]-1,2,3,3a,4,5,6,6a-Octahydropentalen-2-Yl]Ethoxy]Acetate
• Synonyms: Methyl 2-[2-[(3As,4R,5R,6As)-5-Hydroxy-4-[(E,3S,5S)-3-Hydroxy-5-Methyl-Non-1-Enyl]-1,2,3,3A,4,5,6,6A-Octahydropentalen-2-Yl]Ethoxy]Acetate; 2-[2-[(3As,4R,5R,6As)-5-Hydroxy-4-[(E,3S,5S)-3-Hydroxy-5-Methylnon-1-Enyl]-1,2,3,3A,4,5,6,6A-Octahydropentalen-2-Yl]Ethoxy]Acetic Acid Methyl Ester; 2-[2-[(3As,4R,5R,6As)-5-Hydroxy-4-[(E,3S,5S)-3-Hydroxy-5-Methyl-Non-1-Enyl]-1,2,3,3A,4,5,6,6A-Octahydropentalen-2-Yl]Ethoxy]Acetic Acid Methyl Ester
• Molecular Formula: C₂₃H₄₀O₅
• Molecular Weight: 396.57
• CAS Registry Number: 139403-31-9
• SMILES: [C@H]12[C@H](C[C@@H](O)[C@@H]1\C=C\[C@@H](O)C[C@H](CCCC)C)CC(C2)CCOCC(OC)=O
• InChI: 1S/C23H40O5/c1-4-5-6-16(2)11-19(24)7-8-20-21-13-17(12-18(21)14-22(20)25)9-10-28-15-23(26)27-3/h7-8,16-22,24-25H,4-6,9-15H2,1-3H3/b8-7+/t16-,17?,18-,19+,20+,21-,22+/m0/s1
• InChIKey: SLDLSMFNGFIPNI-NZWRJRPUSA-N

Properties

• Density: 1.082g/cm³ (Cal.)
• Boiling point: 505.882°C at 760 mmHg (Cal.)
• Flash point: 162.403°C (Cal.)