(2R,5S)-4,4'aalpha,5,5',6',7',8',8'a-Octahydro-2',5,5',5',8'abeta-Pentamethylspiro[Furan-2(3H),1'(4'H)-Naphthalene]-5-Acetic Acid
[CAS# 1438-57-9]

Identification

• Name: (2R,5S)-4,4'aalpha,5,5',6',7',8',8'a-Octahydro-2',5,5',5',8'abeta-Pentamethylspiro[Furan-2(3H),1'(4'H)-Naphthalene]-5-Acetic Acid
• Synonyms: 2-[(2'S,4As,8R,8As)-2',4,4,7,8A-Pentamethylspiro[2,3,4A,5-Tetrahydro-1H-Naphthalene-8,5'-Tetrahydrofuran]-2'-Yl]Acetic Acid; 2-[(2'S,4As,8R,8As)-2',4,4,7,8A-Pentamethyl-2'-Spiro[2,3,4A,5-Tetrahydro-1H-Naphthalene-8,5'-Tetrahydrofuran]Yl]Acetic Acid; 2-[(2'S,4As,8R,8As)-2',4,4,7,8A-Pentamethylspiro[2,3,4A,5-Tetrahydro-1H-Naphthalene-8,5'-Oxolane]-2'-Yl]Ethanoic Acid
• Molecular Formula: C₂₀H₃₂O₃
• Molecular Weight: 320.47
• CAS Registry Number: 1438-57-9
• SMILES: [C@]23([C@@]1([C@H](C(C)(C)CCC1)CC=C2C)C)O[C@@](CC(=O)O)(C)CC3
• InChI: 1S/C20H32O3/c1-14-7-8-15-17(2,3)9-6-10-19(15,5)20(14)12-11-18(4,23-20)13-16(21)22/h7,15H,6,8-13H2,1-5H3,(H,21,22)/t15-,18-,19-,20+/m0/s1
• InChIKey: XLWWERNKTLITEF-MVJPYGJCSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 434.7±28.0°C at 760 mmHg (Cal.)
• Flash point: 145.8±17.5°C (Cal.)