(1S,2R,5R)-5',7'-Dihydroxy-7,7-Dimethyl-6'-(3-Methylbutanoyl)Spiro[Bicyclo[3.1.1]Heptane-2,2'-Chroman]-8'-Carbaldehyde
[CAS# 130288-58-3]

Identification

• Name: (1S,2R,5R)-5',7'-Dihydroxy-7,7-Dimethyl-6'-(3-Methylbutanoyl)Spiro[Bicyclo[3.1.1]Heptane-2,2'-Chroman]-8'-Carbaldehyde
• Synonyms: (1'S,2R,5'R)-5,7-Dihydroxy-6',6'-Dimethyl-6-(3-Methylbutanoyl)Spiro[Chroman-2,2'-Norpinane]-8-Carbaldehyde; (1'S,2R,5'R)-5,7-Dihydroxy-6',6'-Dimethyl-6-(3-Methyl-1-Oxobutyl)-8-Spiro[Chroman-2,2'-Norpinane]Carboxaldehyde; (1'S,2R,5'R)-5,7-Dihydroxy-6-Isovaleryl-6',6'-Dimethyl-Spiro[Chroman-2,2'-Norpinane]-8-Carbaldehyde
• Molecular Formula: C₂₃H₃₀O₅
• Molecular Weight: 386.49
• CAS Registry Number: 130288-58-3
• SMILES: [C@@H]12C([C@@H](C1)CC[C@]24OC3=C(C(=C(C(=C3CC4)O)C(=O)CC(C)C)O)C=O)(C)C
• InChI: 1S/C23H30O5/c1-12(2)9-16(25)18-19(26)14-6-8-23(28-21(14)15(11-24)20(18)27)7-5-13-10-17(23)22(13,3)4/h11-13,17,26-27H,5-10H2,1-4H3/t13-,17+,23-/m1/s1
• InChIKey: XREJXBXJCWWRFP-GJKYVBSNSA-N

Properties

• Density: 1.26g/cm³ (Cal.)
• Boiling point: 526.526°C at 760 mmHg (Cal.)
• Flash point: 178.064°C (Cal.)