5-O-Demethyl-(13R)-Avermectin A1a
[CAS# 135681-09-3]

Identification

• Name: 5-O-Demethyl-(13R)-Avermectin A1a
• Synonyms: 13-Epi-Avm B(Sub 1) Hydrate; Avermectin A(Sub 1A), 5-O-Demethyl-, (13R)-, Hydrate
• Molecular Formula: C₄₈H₇₂O₁₄
• Molecular Weight: 873.09
• CAS Registry Number: 135681-09-3
• 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(=CC4)C)[C@H](CC)C)C[C@@H](OC(=O)[C@@H]5C=C([C@H]6O)C)C7)C)C
• InChI: 1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17,19,25-26,30-31,33-45,49-50,52H,11,16,18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42+,43+,44-,45+,47+,48+/m0/s1
• InChIKey: JYKKIIBDKWKXOX-VQNPJSKLSA-N

Properties

• Density: 1.246g/cm³ (Cal.)
• Boiling point: 943.111°C at 760 mmHg (Cal.)
• Flash point: 268.806°C (Cal.)