Semiglabrin
[CAS# 51787-32-7]

Identification

• Name: Semiglabrin
• Molecular Formula: C₂₃H₂₀O₆
• Molecular Weight: 392.41
• CAS Registry Number: 51787-32-7
• SMILES: [C@H]23C1=C4C(=CC=C1O[C@H]2OC([C@@H]3OC(=O)C)(C)C)C(C=C(O4)C5=CC=CC=C5)=O
• InChI: 1S/C23H20O6/c1-12(24)26-21-19-18-16(28-22(19)29-23(21,2)3)10-9-14-15(25)11-17(27-20(14)18)13-7-5-4-6-8-13/h4-11,19,21-22H,1-3H3/t19-,21-,22+/m1/s1
• InChIKey: XTIQPKJOGKMOSY-FCEUIQTBSA-N

Properties

• Density: 1.374g/cm³ (Cal.)
• Boiling point: 517.233°C at 760 mmHg (Cal.)
• Flash point: 225.855°C (Cal.)