alpha,5-O-demethyl-Avermectin A1
[CAS# 113665-89-7]

Identification

• Name: alpha,5-O-demethyl-Avermectin A1
• Molecular Formula: C₄₈H₇₂O₁₄
• Molecular Weight: 873.09
• CAS Registry Number: 113665-89-7
• SMILES: [C@]\15(O)[C@@H]6OCC1=C\C=C\[C@@H](C(OC3OC(C(OC2OC(C(O)C(OC)C2)C)C(OC)C3)C)C(=C/C[C@H]7O[C@]4(O[C@@H]([C@H](C=C4)C)C(CC)C)C[C@@H](OC(=O)C5C=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/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25?,26-,28-,30?,31?,33+,34-,35?,36?,37?,38?,39?,40+,41?,42?,43+,44?,45+,47+,48+/m0/s1
• InChIKey: RRZXIRBKKLTSOM-NJRQVPCTSA-N

Properties

• Density: 1.244g/cm³ (Cal.)
• Boiling point: 940.912°C at 760 mmHg (Cal.)
• Flash point: 268.073°C (Cal.)