(4aR,7R,8S)-7,8-Dihydroxy-4A,8-Dimethyl-4,4A,5,6,7,8-Hexahydro-2(3H)-Naphthalenone
[CAS# 363610-36-0]

Identification

• Name: (4aR,7R,8S)-7,8-Dihydroxy-4A,8-Dimethyl-4,4A,5,6,7,8-Hexahydro-2(3H)-Naphthalenone
• Synonyms: (4aR,7R,8S)-7,8-Dihydroxy-4a,8-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one; OXYPHYLLENONE B
• Molecular Formula: C₁₂H₁₈O₃
• Molecular Weight: 210.27
• CAS Registry Number: 363610-36-0
• SMILES: C[C@]12CC[C@H]([C@@](C1=CC(=O)CC2)(C)O)O
• InChI: 1S/C12H18O3/c1-11-5-3-8(13)7-9(11)12(2,15)10(14)4-6-11/h7,10,14-15H,3-6H2,1-2H3/t10-,11+,12+/m1/s1
• InChIKey: ORLGUEREMYIFNG-WOPDTQHZSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 357.8±42.0°C at 760 mmHg (Cal.)
• Flash point: 184.4±24.4°C (Cal.)
• Refractive index: 1.553 (Cal.)