(2S)-2-[[(2Z,4Z,6Z,8Z)-3,7-Dimethyl-9-(2,6,6-Trimethyl-1-Cyclohexenyl)Nona-2,4,6,8-Tetraenoyl]Amino]-4-Methylpentanoic Acid
[CAS# 110683-02-8]

Identification

• Name: (2S)-2-[[(2Z,4Z,6Z,8Z)-3,7-Dimethyl-9-(2,6,6-Trimethyl-1-Cyclohexenyl)Nona-2,4,6,8-Tetraenoyl]Amino]-4-Methylpentanoic Acid
• Synonyms: (2S)-2-[[(2Z,4Z,6Z,8Z)-3,7-Dimethyl-9-(2,6,6-Trimethyl-1-Cyclohexenyl)Nona-2,4,6,8-Tetraenoyl]Amino]-4-Methyl-Pentanoic Acid; (2S)-2-[[(2Z,4Z,6Z,8Z)-3,7-Dimethyl-1-Oxo-9-(2,6,6-Trimethyl-1-Cyclohexenyl)Nona-2,4,6,8-Tetraenyl]Amino]-4-Methylpentanoic Acid; (2S)-2-[[(2Z,4Z,6Z,8Z)-3,7-Dimethyl-9-(2,6,6-Trimethyl-1-Cyclohexenyl)Nona-2,4,6,8-Tetraenoyl]Amino]-4-Methyl-Valeric Acid
• Molecular Formula: C₂₆H₃₉NO₃
• Molecular Weight: 413.60
• CAS Registry Number: 110683-02-8 (110769-97-6)
• SMILES: [C@@H](NC(=O)/C=C(\C=C/C=C(\C=C/C1=C(CCCC1(C)C)C)C)C)(C(=O)O)CC(C)C
• InChI: 1S/C26H39NO3/c1-18(2)16-23(25(29)30)27-24(28)17-20(4)11-8-10-19(3)13-14-22-21(5)12-9-15-26(22,6)7/h8,10-11,13-14,17-18,23H,9,12,15-16H2,1-7H3,(H,27,28)(H,29,30)/b11-8-,14-13-,19-10-,20-17-/t23-/m0/s1
• InChIKey: XILISIALPJYAMY-GTCOHCSCSA-N

Properties

• Density: 1.027g/cm³ (Cal.)
• Boiling point: 607.715°C at 760 mmHg (Cal.)
• Flash point: 321.335°C (Cal.)