Helicascolide A
[CAS# 121350-98-9]

Identification

• Name: Helicascolide A
• Synonyms: (4R,5S,6S)-4-Hydroxy-3,3,5-Trimethyl-6-[(E)-1-Methylprop-1-Enyl]Tetrahydropyran-2-One; (4R,5S,6S)-4-Hydroxy-3,3,5-Trimethyl-6-[(E)-1-Methylprop-1-Enyl]-2-Tetrahydropyranone; (4R,5S,6S)-6-[(E)-But-2-En-2-Yl]-4-Hydroxy-3,3,5-Trimethyl-Oxan-2-One
• Molecular Formula: C₁₂H₂₀O₃
• Molecular Weight: 212.29
• CAS Registry Number: 121350-98-9
• SMILES: [C@H]1(O)C(C(O[C@@H]([C@H]1C)\C(=C\C)C)=O)(C)C
• InChI: 1S/C12H20O3/c1-6-7(2)9-8(3)10(13)12(4,5)11(14)15-9/h6,8-10,13H,1-5H3/b7-6+/t8-,9-,10-/m1/s1
• InChIKey: TXJOTIFCEKOXSM-BPESRRAMSA-N

Properties

• Density: 1.011g/cm³ (Cal.)
• Boiling point: 326.454°C at 760 mmHg (Cal.)
• Flash point: 132.965°C (Cal.)