(6R,22R,23S,25R)-5-O-Demethyl-28-Deoxy-6,28-Epoxy-22-Hydroxy-25-Methyl-23-[(2-Methyl-1-Oxohexyl)Oxy]Milbemycin B
[CAS# 51798-80-2]

Identification

• Name: (6R,22R,23S,25R)-5-O-Demethyl-28-Deoxy-6,28-Epoxy-22-Hydroxy-25-Methyl-23-[(2-Methyl-1-Oxohexyl)Oxy]Milbemycin B
• Synonyms: (6R,22S,23R,25R)-5-O-Demethyl-28-Deoxy-6,28-Epoxy-22-Hydroxy-25-Methyl-23-((2-Methyl-1-Oxohexyl)Oxy)Milbemycin B
• Molecular Formula: C₃₈H₅₆O₉
• Molecular Weight: 656.86
• CAS Registry Number: 51798-80-2
• SMILES: [C@@H]35C1[C@H](OC\C1=C\C=C/[C@@H](CC(=C/C[C@H]4O[C@]2(O[C@@H]([C@H]([C@@H](OC(=O)C(CCCC)C)[C@@H]2O)C)C)C[C@@H](OC3=O)C4)\C)C)C(O)C(=C5)C
• InChI: 1S/C38H56O9/c1-8-9-12-23(4)36(41)45-33-25(6)26(7)46-38(35(33)40)19-29-18-28(47-38)15-14-22(3)16-21(2)11-10-13-27-20-43-34-31(27)30(37(42)44-29)17-24(5)32(34)39/h10-11,13-14,17,21,23,25-26,28-35,39-40H,8-9,12,15-16,18-20H2,1-7H3/b11-10-,22-14-,27-13-/t21-,23?,25+,26+,28+,29-,30+,31?,32?,33+,34-,35-,38+/m0/s1
• InChIKey: HGECLQOUXXUZBC-YVQUFBSKSA-N