1-[(3R,3aS,5S,6S,7aR)-3A,6-Dihydroxy-3-Isopropyl-7A-Methyloctahydro-1H-Inden-5-Yl]Ethanone
[CAS# 457949-49-4]

Identification

• Name: 1-[(3R,3aS,5S,6S,7aR)-3A,6-Dihydroxy-3-Isopropyl-7A-Methyloctahydro-1H-Inden-5-Yl]Ethanone
• Synonyms: 7-Acetyl-5,8-dihydroxy-4-isopropyl-1-methylbicyclo[4.3.0]nonane
• Molecular Formula: C₁₅H₂₆O₃
• Molecular Weight: 254.37
• CAS Registry Number: 457949-49-4
• SMILES: O=C([C@H]1C[C@]2(O)[C@H](CC[C@@]2(C[C@@H]1O)C)C(C)C)C
• InChI: 1S/C15H26O3/c1-9(2)12-5-6-14(4)8-13(17)11(10(3)16)7-15(12,14)18/h9,11-13,17-18H,5-8H2,1-4H3/t11-,12-,13+,14-,15+/m1/s1
• InChIKey: JBUVDZNSKXFWKY-QMIVOQANSA-N

Properties

• Density: 1.118g/cm³ (Cal.)
• Boiling point: 372.042°C at 760 mmHg (Cal.)
• Flash point: 192.984°C (Cal.)
• Refractive index: 1.53 (Cal.)