N-[3-(4-Acetoxy-3-Methyl-2-Oxo-7-Oxabicyclo[4.1.0]Heptan-1-Yl)-2-Chloro-2-Propenyl]-7-Methoxy-N-Methyl-4-Tetradeceneamide
[CAS# 69121-74-0]

Identification

• Name: N-[3-(4-Acetoxy-3-Methyl-2-Oxo-7-Oxabicyclo[4.1.0]Heptan-1-Yl)-2-Chloro-2-Propenyl]-7-Methoxy-N-Methyl-4-Tetradeceneamide
• Synonyms: [(1S,3R,4R,6S)-1-[(Z)-2-Chloro-1-[[[(E,7S)-7-Methoxytetradec-4-Enoyl]-Methyl-Amino]Methyl]Vinyl]-3-Methyl-2-Oxo-7-Oxabicyclo[4.1.0]Heptan-4-Yl] Acetate; Acetic Acid [(1S,3R,4R,6S)-1-[(Z)-2-Chloro-1-[[[(E,7S)-7-Methoxy-1-Oxotetradec-4-Enyl]-Methylamino]Methyl]Vinyl]-3-Methyl-2-Oxo-7-Oxabicyclo[4.1.0]Heptan-4-Yl] Ester; Acetic Acid [(1S,3R,4R,6S)-1-[(Z)-2-Chloro-1-[[[(E,7S)-7-Methoxytetradec-4-Enoyl]-Methyl-Amino]Methyl]Vinyl]-2-Keto-3-Methyl-7-Oxabicyclo[4.1.0]Heptan-4-Yl] Ester
• Molecular Formula: C₂₈H₄₄ClNO₆
• Molecular Weight: 526.11
• CAS Registry Number: 69121-74-0
• SMILES: [C@@]12(O[C@H]1C[C@H]([C@H](C2=O)C)OC(=O)C)\C(CN(C(=O)CC/C=C/C[C@@H](OC)CCCCCCC)C)=C/Cl
• InChI: 1S/C28H44ClNO6/c1-6-7-8-9-11-14-23(34-5)15-12-10-13-16-26(32)30(4)19-22(18-29)28-25(36-28)17-24(35-21(3)31)20(2)27(28)33/h10,12,18,20,23-25H,6-9,11,13-17,19H2,1-5H3/b12-10+,22-18-/t20-,23+,24-,25+,28+/m1/s1
• InChIKey: PBSMCFLXUIGLJN-PMETZGSZSA-N

Properties

• Density: 1.132g/cm³ (Cal.)
• Boiling point: 616.155°C at 760 mmHg (Cal.)
• Flash point: 326.439°C (Cal.)