Milbemectin A3
[CAS# 51596-10-2]

Identification

• Name: Milbemectin A3
• Synonyms: (6R,25R)-5-O-Demethyl-28-Deoxy-6,28-Epoxy-25-Methylmilbemycin B; Milbemycin A3
• Molecular Formula: C₃₁H₄₄O₇
• Molecular Weight: 528.68
• CAS Registry Number: 51596-10-2
• SMILES: [C@]\13(O)[C@@H]4OCC1=C\C=C\[C@@H](CC(=C/CC5O[C@]2(OC([C@H](CC2)C)C)C[C@@H](OC(=O)[C@@H]3C=C([C@H]4O)C)C5)/C)C
• InChI: 1S/C31H44O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-28,32,34H,10-13,15-17H2,1-5H3/b7-6+,19-9+,23-8+/t18-,20-,22?,24?,25-,26-,27+,28+,30-,31+/m0/s1
• InChIKey: ZLBGSRMUSVULIE-SJRQICMCSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 725.5±60.0°C at 760 mmHg (Cal.)
• Flash point: 233.2±26.4°C (Cal.)