(5aR,9R,9aS,9bR)-9-Hydroxy-3-(Hydroxymethyl)-5a,9-Dimethyl-5,6,7,8,9a,9b-Hexahydro-4H-Benzo[g][1]Benzoxol-2-One
[CAS# 145613-48-5]

Identification

• Name: (5aR,9R,9aS,9bR)-9-Hydroxy-3-(Hydroxymethyl)-5a,9-Dimethyl-5,6,7,8,9a,9b-Hexahydro-4H-Benzo[g][1]Benzoxol-2-One
• Synonyms: (5Ar,9R,9As,9Br)-9-Hydroxy-3-(Hydroxymethyl)-5A,9-Dimethyl-5,6,7,8,9A,9B-Hexahydro-4H-Benzo[G]Benzofuran-2-One; (5Ar,9R,9As,9Br)-9-Hydroxy-5A,9-Dimethyl-3-Methylol-5,6,7,8,9A,9B-Hexahydro-4H-Benzo[G]Benzofuran-2-One; (+)-4-Epi-Arbusclin D
• Molecular Formula: C₁₅H₂₂O₄
• Molecular Weight: 266.34
• CAS Registry Number: 145613-48-5
• SMILES: [C@@H]12C(=C(C(O1)=O)CO)CC[C@]3(CCC[C@]([C@H]23)(O)C)C
• InChI: 1S/C15H22O4/c1-14-5-3-6-15(2,18)12(14)11-9(4-7-14)10(8-16)13(17)19-11/h11-12,16,18H,3-8H2,1-2H3/t11-,12+,14+,15+/m0/s1
• InChIKey: VHSOLPPARHTCAY-CTHBEMJXSA-N

Properties

• Density: 1.251g/cm³ (Cal.)
• Boiling point: 474.521°C at 760 mmHg (Cal.)
• Flash point: 178.314°C (Cal.)