(3aR,4R,5R,6R,7S,7aR)-4,7-Bis(Benzyloxy)-2,2-Dimethylhexahydro-1,3-Benzodioxole-5,6-Diol
[CAS# 142435-92-5]

Identification

• Name: (3aR,4R,5R,6R,7S,7aR)-4,7-Bis(Benzyloxy)-2,2-Dimethylhexahydro-1,3-Benzodioxole-5,6-Diol
• Synonyms: DL-1,6-BIS-O-(1-METHYLETHYLIDENE)-2,5-BIS-O-(PHENYLMETHYL)-MYO-INOSITOL
• Molecular Formula: C₂₃H₂₈O₆
• Molecular Weight: 400.46
• CAS Registry Number: 142435-92-5
• SMILES: CC1(O[C@H]2[C@H](O1)[C@H]([C@@H]([C@H]([C@H]2OCC3=CC=CC=C3)O)O)OCC4=CC=CC=C4)C
• InChI: 1S/C23H28O6/c1-23(2)28-21-19(26-13-15-9-5-3-6-10-15)17(24)18(25)20(22(21)29-23)27-14-16-11-7-4-8-12-16/h3-12,17-22,24-25H,13-14H2,1-2H3/t17-,18-,19-,20+,21-,22-/m1/s1
• InChIKey: WJLMSHJIYVKTDR-WHVWYTALSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 538.4±50.0°C at 760 mmHg (Cal.)
• Flash point: 279.4±30.1°C (Cal.)
• Refractive index: 1.603 (Cal.)