(3A'r,4'S,5'R,5A'r,8A's,8B's)-5'-Hydroxyhexahydrodispiro[Cyclohexane-1,2'-[1,3]Dioxolo[4,5-e][1,3]Benzodioxole-7',1''-Cyclohexan]-4'-Yl (1R,2S,5R)-2-Isopropyl-5-Methylcyclohexyl Carbonate
[CAS# 153996-48-6]

Identification

• Name: (3A'r,4'S,5'R,5A'r,8A's,8B's)-5'-Hydroxyhexahydrodispiro[Cyclohexane-1,2'-[1,3]Dioxolo[4,5-e][1,3]Benzodioxole-7',1''-Cyclohexan]-4'-Yl (1R,2S,5R)-2-Isopropyl-5-Methylcyclohexyl Carbonate
• Synonyms: 1-(-)-CARBOXYMENTHYL-2,3:4,5-DI-O-CYCLOHEXYLIDENE-D-MYO-INOSITOL
• Molecular Formula: C₂₉H₄₆O₈
• Molecular Weight: 522.67
• CAS Registry Number: 153996-48-6
• SMILES: O=C(O[C@H]1[C@H](C(C)C)CC[C@@H](C)C1)O[C@@H]3[C@@H]5OC6(O[C@@H]5[C@H]2OC4(O[C@@H]2[C@H]3O)CCCCC4)CCCCC6
• InChI: 1S/C29H46O8/c1-17(2)19-11-10-18(3)16-20(19)32-27(31)33-22-21(30)23-25(36-28(34-23)12-6-4-7-13-28)26-24(22)35-29(37-26)14-8-5-9-15-29/h17-26,30H,4-16H2,1-3H3/t18-,19+,20-,21+,22+,23-,24+,25+,26+/m1/s1
• InChIKey: WRXWOZJOECNPFF-HHTKWPRTSA-N

Properties

• Density: 1.223g/cm³ (Cal.)
• Boiling point: 663.616°C at 760 mmHg (Cal.)
• Flash point: 212.944°C (Cal.)
• Refractive index: 1.549 (Cal.)