Kolavenic Acid
[CAS# 25436-90-2]

Identification

• Name: Kolavenic Acid
• Synonyms: (E)-5-[(1S,2S,4Ar,8Ar)-1,2,4A,5-Tetramethyl-2,3,4,7,8,8A-Hexahydronaphthalen-1-Yl]-3-Methyl-Pent-2-Enoic Acid; (5R*,8S*,9S*,10R*)-Cleroda-3,13E-Dien-15-Oic Acid; 2-Pentenoic Acid, 3-Methyl-5-[(1S,2S,4Ar,8Ar)-1,2,3,4,4A,7,8,8A-Octahydro-1,2,4A,5-Tetramethyl-1-Naphthalenyl]-, (2E)-
• Molecular Formula: C₂₀H₃₂O₂
• Molecular Weight: 304.47
• CAS Registry Number: 25436-90-2
• SMILES: [C@@H]12[C@]([C@H](CC[C@]1(C(=CCC2)C)C)C)(CC\C(C)=C\C(O)=O)C
• InChI: 1S/C20H32O2/c1-14(13-18(21)22)9-11-19(4)16(3)10-12-20(5)15(2)7-6-8-17(19)20/h7,13,16-17H,6,8-12H2,1-5H3,(H,21,22)/b14-13+/t16-,17+,19-,20-/m0/s1
• InChIKey: NLVMTSRTOGOFQD-SMNKCIGXSA-N

Properties

• Density: 0.968g/cm³ (Cal.)
• Boiling point: 416.085°C at 760 mmHg (Cal.)
• Flash point: 310.774°C (Cal.)