N-(15-Benzyl-10-Sec-Butyl-14-Hydroxy-3-Isopropyl-7,13,13-Trimethyl-2,5,9,12-Tetraoxo-1,4,8,11-Tetraoxacyclopentadecan-6-Yl)-3-Formamido-2-Methoxybenzamide
[CAS# 22862-64-2]

Identification

• Name: N-(15-Benzyl-10-Sec-Butyl-14-Hydroxy-3-Isopropyl-7,13,13-Trimethyl-2,5,9,12-Tetraoxo-1,4,8,11-Tetraoxacyclopentadecan-6-Yl)-3-Formamido-2-Methoxybenzamide
• Synonyms: Neoantimycin, methyl ester; o-Anisamide, N-(15-benzyl-10-sec-butyl-14-hydroxy-3-isopropyl-7,13,13-trimethyl-2,5,9,12-tetraoxo-1,4,8,11-tetraoxacyclopentadec-6-yl)-3-formamido-
• Molecular Formula: C₃₇H₄₈N₂O₁₂
• Molecular Weight: 712.78
• CAS Registry Number: 22862-64-2
• SMILES: O=CNc1cccc(c1OC)C(=O)NC3C(=O)OC(C(=O)OC(Cc2ccccc2)C(O)C(C(=O)OC(C(=O)OC3C)C(C)CC)(C)C)C(C)C
• InChI: 1S/C37H48N2O12/c1-9-21(4)29-35(45)48-22(5)27(39-32(42)24-16-13-17-25(38-19-40)30(24)47-8)33(43)50-28(20(2)3)34(44)49-26(18-23-14-11-10-12-15-23)31(41)37(6,7)36(46)51-29/h10-17,19-22,26-29,31,41H,9,18H2,1-8H3,(H,38,40)(H,39,42)
• InChIKey: MGPKGXHFCPPKBE-UHFFFAOYSA-N

Properties

• Density: 1.265g/cm³ (Cal.)
• Boiling point: 933.452°C at 760 mmHg (Cal.)
• Flash point: 518.333°C (Cal.)
• Refractive index: 1.565 (Cal.)