(23S)-22,23-Dihydro-23-Hydroxyavermectin A1a
[CAS# 65195-53-1]

Identification

• Name: (23S)-22,23-Dihydro-23-Hydroxyavermectin A1a
• Synonyms: Avermectin A2a; C11976
• Molecular Formula: C₄₉H₇₆O₁₅
• Molecular Weight: 905.13
• CAS Registry Number: 65195-53-1
• SMILES: [C@]17(O[C@@H]([C@H]([C@@H](O)C1)C)C(CC)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/C49H76O15/c1-12-25(2)43-29(6)36(50)23-48(64-43)22-34-19-33(63-48)17-16-27(4)42(61-40-21-38(55-10)45(31(8)59-40)62-39-20-37(54-9)41(51)30(7)58-39)26(3)14-13-15-32-24-57-46-44(56-11)28(5)18-35(47(52)60-34)49(32,46)53/h13-16,18,25-26,29-31,33-46,50-51,53H,12,17,19-24H2,1-11H3/b14-13+,27-16+,32-15+/t25?,26-,29-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46+,48-,49+/m0/s1
• InChIKey: JVGWUGTWQIAGHJ-DFAYUBCLSA-N

Properties

• Density: 1.239g/cm³ (Cal.)
• Boiling point: 952.201°C at 760 mmHg (Cal.)
• Flash point: 268.421°C (Cal.)