25-De(1-Methylpropyl)-25-(1-Methylethyl)-Avermectin A1a
[CAS# 65195-52-0]

Identification

• Name: 25-De(1-Methylpropyl)-25-(1-Methylethyl)-Avermectin A1a
• Synonyms: C11968; Lmpk01000025
• Molecular Formula: C₄₈H₇₂O₁₄
• Molecular Weight: 873.09
• CAS Registry Number: 65195-52-0
• SMILES: [C@]\15(O)[C@@H]6OCC1=C\C=C\[C@@H]([C@H](O[C@@H]3O[C@H]([C@H](O[C@@H]2O[C@H]([C@H](O)[C@@H](OC)C2)C)[C@@H](OC)C3)C)\C(=C\C[C@H]7O[C@]4(O[C@@H]([C@H](C=C4)C)C(C)C)C[C@@H](OC(=O)[C@@H]5C=C([C@H]6OC)C)C7)C)C
• InChI: 1S/C48H72O14/c1-25(2)41-28(5)17-18-47(62-41)23-34-20-33(61-47)16-15-27(4)42(59-39-22-37(53-10)44(31(8)57-39)60-38-21-36(52-9)40(49)30(7)56-38)26(3)13-12-14-32-24-55-45-43(54-11)29(6)19-35(46(50)58-34)48(32,45)51/h12-15,17-19,25-26,28,30-31,33-45,49,51H,16,20-24H2,1-11H3/b13-12+,27-15+,32-14+/t26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40-,41+,42-,43+,44-,45+,47+,48+/m0/s1
• InChIKey: MNRHCELBXZARFX-OVBDMLLUSA-N