(2E,4E,6E)-7-[(1S,2R,6R)-4-[[(2E,4E)-5-Cyclohexylpenta-2,4-Dienoyl]Amino]-2-Hydroxy-5-Oxo-7-Oxabicyclo[4.1.0]Hept-3-En-2-Yl]Hepta-2,4,6-Trienoic Acid
[CAS 150829-93-9]

Identification

• Name: (2E,4E,6E)-7-[(1S,2R,6R)-4-[[(2E,4E)-5-Cyclohexylpenta-2,4-Dienoyl]Amino]-2-Hydroxy-5-Oxo-7-Oxabicyclo[4.1.0]Hept-3-En-2-Yl]Hepta-2,4,6-Trienoic Acid
• Synonyms: (2E,4E,6E)-7-[(1S,2R,6R)-4-[[(2E,4E)-5-Cyclohexyl-1-Oxopenta-2,4-Dienyl]Amino]-2-Hydroxy-5-Oxo-7-Oxabicyclo[4.1.0]Hept-3-En-2-Yl]Hepta-2,4,6-Trienoic Acid; (2E,4E,6E)-7-[(1S,2R,6R)-4-[[(2E,4E)-5-Cyclohexylpenta-2,4-Dienoyl]Amino]-2-Hydroxy-5-Keto-7-Oxabicyclo[4.1.0]Hept-3-En-2-Yl]Hepta-2,4,6-Trienoic Acid; 2,4,6-Heptatrienoic Acid, 7-(4-((5-Cyclohexyl-1-Oxo-2,4-Pentadienyl)Amino)-2-Hydroxy-5-Oxo-7-Oxabicyclo(4.1.0)Hept-3-En-2-Yl)-, (1S-(1Alpha,2Beta,2(2E,4E,6E),4(2E,4E),6Alpha))-
• Molecular Formula: C₂₄H₂₇NO₆
• Molecular Weight: 425.48
• CAS Registry Number: 150829-93-9
• SMILES: [C@@H]13[C@@H]([C@](/C=C/C=C/C=C/C(=O)O)(O)C=C(C1=O)NC(/C=C/C=C/C2CCCCC2)=O)O3
• InChI: 1S/C24H27NO6/c26-19(13-8-7-12-17-10-4-3-5-11-17)25-18-16-24(30,23-22(31-23)21(18)29)15-9-2-1-6-14-20(27)28/h1-2,6-9,12-17,22-23,30H,3-5,10-11H2,(H,25,26)(H,27,28)/b2-1+,12-7+,13-8+,14-6+,15-9+/t22-,23-,24+/m0/s1
• InChIKey: BUSGWUFLNHIBPT-XYBORKQMSA-N

Properties

• Density: 1.302g/cm³ (Cal.)
• Boiling point: 776.716°C at 760 mmHg (Cal.)
• Flash point: 423.543°C (Cal.)