(6R,25)-5-O-Demethyl-28-Deoxy-6,28-Epoxy-25-(1-Methylethyl)Milbemycin B
[CAS# 77855-81-3]

Identification

• Name: (6R,25)-5-O-Demethyl-28-Deoxy-6,28-Epoxy-25-(1-Methylethyl)Milbemycin B
• Synonyms: Antibiotic B 41D; B 41D; Brn 4282549
• Molecular Formula: C₃₃H₄₈O₇
• Molecular Weight: 556.74
• CAS Registry Number: 77855-81-3
• SMILES: [C@]\13(O)[C@@H]4OCC1=C\C=C\[C@@H](CC(=C/C[C@H]5O[C@]2(O[C@@H]([C@H](CC2)C)C(C)C)C[C@@H](OC(=O)[C@@H]3C=C([C@H]4O)C)C5)/C)C
• InChI: 1S/C33H48O7/c1-19(2)29-22(5)12-13-32(40-29)17-26-16-25(39-32)11-10-21(4)14-20(3)8-7-9-24-18-37-30-28(34)23(6)15-27(31(35)38-26)33(24,30)36/h7-10,15,19-20,22,25-30,34,36H,11-14,16-18H2,1-6H3/b8-7+,21-10+,24-9+/t20-,22-,25+,26-,27-,28+,29+,30+,32+,33+/m0/s1
• InChIKey: BWCRYQGQPDBOAU-WZBVPYLGSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 735.7±60.0°C at 760 mmHg (Cal.)
• Flash point: 231.9±26.4°C (Cal.)