(23S)-25-De(1-Methylpropyl)-22,23-Dihydro-23-Hydroxy-25-Isopropylavermectin A1a
[CAS# 65195-54-2]

Identification

• Name: (23S)-25-De(1-Methylpropyl)-22,23-Dihydro-23-Hydroxy-25-Isopropylavermectin A1a
• Synonyms: Avermectin A2b; C11960
• Molecular Formula: C₄₈H₇₄O₁₅
• Molecular Weight: 891.10
• CAS Registry Number: 65195-54-2
• SMILES: [C@]17(O[C@@H]([C@H]([C@@H](O)C1)C)C(C)C)O[C@H]5C[C@H](OC(=O)[C@H]6[C@@]\2(O)[C@H](OCC2=C\C=C\[C@@H]([C@H](O[C@@H]4O[C@H]([C@H](O[C@@H]3O[C@H]([C@H](O)[C@@H](OC)C3)C)[C@@H](OC)C4)C)/C(=C/C5)C)C)[C@H](OC)C(=C6)C)C7
• InChI: 1S/C48H74O15/c1-24(2)41-28(6)35(49)22-47(63-41)21-33-18-32(62-47)16-15-26(4)42(60-39-20-37(54-10)44(30(8)58-39)61-38-19-36(53-9)40(50)29(7)57-38)25(3)13-12-14-31-23-56-45-43(55-11)27(5)17-34(46(51)59-33)48(31,45)52/h12-15,17,24-25,28-30,32-45,49-50,52H,16,18-23H2,1-11H3/b13-12+,26-15+,31-14+/t25-,28-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39-,40-,41+,42-,43+,44-,45+,47-,48+/m0/s1
• InChIKey: QUTFLJHOCPQPEW-WUSILSRKSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 945.9±65.0°C at 760 mmHg (Cal.)
• Flash point: 268.3±27.8°C (Cal.)