(Z)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-Tetramethyl-2,3,4,7,8,8a-Hexahydronaphthalen-1-Yl]-3-Formylpent-2-Enoic Acid
[CAS# 137109-33-2]

Identification

• Name: (Z)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-Tetramethyl-2,3,4,7,8,8a-Hexahydronaphthalen-1-Yl]-3-Formylpent-2-Enoic Acid
• Synonyms: (Z)-5-[(1S,2R,4Ar,8Ar)-1,2,4A,5-Tetramethyl-2,3,4,7,8,8A-Hexahydronaphthalen-1-Yl]-3-Formyl-Pent-2-Enoic Acid; (Z)-5-[(1S,2R,4Ar,8Ar)-1,2,4A,5-Tetramethyl-2,3,4,7,8,8A-Hexahydronaphthalen-1-Yl]-3-Methanoyl-Pent-2-Enoic Acid; (1S-(1Alpha(Z),2Beta,4Abeta,8Aalpha))-3-Formyl-5-(1,2,3,4,4A,7,8,8A-Octahydro-1,2,4A,5-Tetramethyl-1-Naphthalenyl)-2-Pentenoic Acid
• Molecular Formula: C₂₀H₃₀O₃
• Molecular Weight: 318.46
• CAS Registry Number: 137109-33-2
• SMILES: [C@@H]12[C@](C(=CCC1)C)(CC[C@H]([C@@]2(CC\C(=C\C(=O)O)C=O)C)C)C
• InChI: 1S/C20H30O3/c1-14-6-5-7-17-19(14,3)10-8-15(2)20(17,4)11-9-16(13-21)12-18(22)23/h6,12-13,15,17H,5,7-11H2,1-4H3,(H,22,23)/b16-12-/t15-,17+,19+,20+/m1/s1
• InChIKey: LUZARHTWSOXFLP-DQLOYZPXSA-N

Properties

• Density: 1.021g/cm³ (Cal.)
• Boiling point: 445.99°C at 760 mmHg (Cal.)
• Flash point: 237.657°C (Cal.)