Methyl 5-[(3aS,5R,6R,6aS)-5-Hydroxy-6-[(E,3S)-3-Hydroxy-5-Methylnon-1-Enyl]-1,3A,4,5,6,6alpha-Hexahydropentalen-2-Yl]Pentanoate
[CAS# 106396-38-7]

Identification

• Name: Methyl 5-[(3aS,5R,6R,6aS)-5-Hydroxy-6-[(E,3S)-3-Hydroxy-5-Methylnon-1-Enyl]-1,3A,4,5,6,6alpha-Hexahydropentalen-2-Yl]Pentanoate
• Synonyms: Methyl 5-[(3As,5R,6R,6As)-5-Hydroxy-6-[(E,3S)-3-Hydroxy-5-Methyl-Non-1-Enyl]-1,3A,4,5,6,6A-Hexahydropentalen-2-Yl]Pentanoate; 5-[(3As,5R,6R,6As)-5-Hydroxy-6-[(E,3S)-3-Hydroxy-5-Methylnon-1-Enyl]-1,3A,4,5,6,6A-Hexahydropentalen-2-Yl]Pentanoic Acid Methyl Ester; 5-[(3As,5R,6R,6As)-5-Hydroxy-6-[(E,3S)-3-Hydroxy-5-Methyl-Non-1-Enyl]-1,3A,4,5,6,6A-Hexahydropentalen-2-Yl]Valeric Acid Methyl Ester
• Molecular Formula: C₂₄H₄₀O₄
• Molecular Weight: 392.58
• CAS Registry Number: 106396-38-7
• SMILES: [C@@H]12C=C(C[C@@H]1[C@H]([C@@H](C2)O)\C=C\[C@H](CC(CCCC)C)O)CCCCC(=O)OC
• InChI: 1S/C24H40O4/c1-4-5-8-17(2)13-20(25)11-12-21-22-15-18(14-19(22)16-23(21)26)9-6-7-10-24(27)28-3/h11-12,14,17,19-23,25-26H,4-10,13,15-16H2,1-3H3/b12-11+/t17?,19-,20+,21+,22-,23+/m0/s1
• InChIKey: NTQOAURYZKLASL-HQMMTBILSA-N

Properties

• Density: 1.067g/cm³ (Cal.)
• Boiling point: 489.978°C at 760 mmHg (Cal.)
• Flash point: 154.968°C (Cal.)