5-[(3,3-Dimethyl-2-Oxiranyl)Methyl]-8-Hydroxy-1-(Hydroxymethyl)-3-Methyl-2-[(3-Methyl-2-Buten-1-Yl)Oxy]-9H-Xanthen-9-One
[CAS# 55812-92-5]

Identification

• Name: 5-[(3,3-Dimethyl-2-Oxiranyl)Methyl]-8-Hydroxy-1-(Hydroxymethyl)-3-Methyl-2-[(3-Methyl-2-Buten-1-Yl)Oxy]-9H-Xanthen-9-One
• Synonyms: 5-[(3,3-dimethyloxiran-2-yl)methyl]-8-hydroxy-1-(hydroxymethyl)-3-methyl-2-[(3-methylbut-2-en-1-yl)oxy]-9H-xanthen-9-one
• Molecular Formula: C₂₅H₂₈O₆
• Molecular Weight: 424.49
• CAS Registry Number: 55812-92-5
• SMILES: C/C(C)=C\COc4c(CO)c3c(Oc2c(CC1OC1(C)C)ccc(O)c2C3=O)cc4C
• InChI: 1S/C25H28O6/c1-13(2)8-9-29-23-14(3)10-18-20(16(23)12-26)22(28)21-17(27)7-6-15(24(21)30-18)11-19-25(4,5)31-19/h6-8,10,19,26-27H,9,11-12H2,1-5H3
• InChIKey: ROWGCYHEZVANDZ-UHFFFAOYSA-N

Properties

• Density: 1.259g/cm³ (Cal.)
• Boiling point: 619.289°C at 760 mmHg (Cal.)
• Flash point: 210.722°C (Cal.)