5-O-Demethyl-25-De(1-Methylpropyl)-22,23-Dihydro-25-(1-Methylethyl)-Avermectin A1a
[CAS# 70209-81-3]

Identification

• Name: 5-O-Demethyl-25-De(1-Methylpropyl)-22,23-Dihydro-25-(1-Methylethyl)-Avermectin A1a
• Synonyms: Avermectin A(Sub 1A), 5-O-Demethyl-25-De(1-Methylpropyl)-22,23-Dihydro-25-(1-Methylethyl)-; Avermectin A1a, 5-O-Demethyl-25-De(1-Methylpropyl)-22,23-Dihydro-25-(1-Methylethyl)-; Avermectin H2b1b
• Molecular Formula: C₄₇H₇₂O₁₄
• Molecular Weight: 861.08
• CAS Registry Number: 70209-81-3
• EINECS: 274-384-5
• 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](CC4)C)C(C)C)C[C@@H](OC(=O)[C@@H]5C=C([C@H]6O)C)C7)C)C
• InChI: 1S/C47H72O14/c1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h11-14,18,24-25,27,29-30,32-44,48-49,51H,15-17,19-23H2,1-10H3/b12-11+,26-14+,31-13+/t25-,27-,29-,30-,32+,33-,34-,35+,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m0/s1
• InChIKey: VARHUCVRRNANBD-XKYHEAQUSA-N

Properties

• Density: 1.244g/cm³ (Cal.)
• Boiling point: 934.115°C at 760 mmHg (Cal.)
• Flash point: 267.196°C (Cal.)