Ovalicin
[CAS# 19683-98-8]

Identification

• Name: Ovalicin
• Synonyms: (3S,4R,5S)-4-Hydroxy-5-Methoxy-4-[(2S)-2-Methyl-3-(3-Methylbut-2-Enyl)-2-Oxiranyl]-1-Oxaspiro[2.5]Octan-6-One; C09674; Graphinone
• Molecular Formula: C₁₆H₂₄O₅
• Molecular Weight: 296.36
• CAS Registry Number: 19683-98-8
• SMILES: [C@@]2(O)([C@]1(OC1)CCC(=O)[C@H]2OC)[C@]3(OC3CC=C(C)C)C
• InChI: 1S/C16H24O5/c1-10(2)5-6-12-14(3,21-12)16(18)13(19-4)11(17)7-8-15(16)9-20-15/h5,12-13,18H,6-9H2,1-4H3/t12?,13-,14+,15+,16+/m1/s1
• InChIKey: NESRXFGQJARQNM-LQFWQHRQSA-N

Properties

• Density: 1.212g/cm³ (Cal.)
• Boiling point: 443.784°C at 760 mmHg (Cal.)
• Flash point: 160.13°C (Cal.)