Nemadectin
[CAS# 102130-84-7]

Identification

• Name: Nemadectin
• Synonyms: (6R,23S,25S)-5-O-Demethyl-28-Deoxy-25-((E)-1,3-Dimethyl-1-Butenyl)-6,28-Epoxy-23-Hydroxymilbemycin B; Cl 287,088; F28249alpha
• Molecular Formula: C₃₆H₅₂O₈
• Molecular Weight: 612.80
• CAS Registry Number: 102130-84-7
• SMILES: [C@@]12(O[C@@H]([C@@H](C)[C@H](C1)O)\C(=C\C(C)C)C)C[C@@H]3C[C@H](O2)C\C=C(C[C@H](/C=C/C=C5/[C@]4([C@H](C(O3)=O)C=C(C)[C@H]([C@H]4OC5)O)O)C)/C
• InChI: 1S/C36H52O8/c1-20(2)13-24(6)32-25(7)30(37)18-35(44-32)17-28-16-27(43-35)12-11-22(4)14-21(3)9-8-10-26-19-41-33-31(38)23(5)15-29(34(39)42-28)36(26,33)40/h8-11,13,15,20-21,25,27-33,37-38,40H,12,14,16-19H2,1-7H3/b9-8+,22-11+,24-13+,26-10+/t21-,25-,27+,28-,29-,30-,31+,32+,33+,35-,36+/m0/s1
• InChIKey: YNFMRVVYUVPIAN-AQUURSMBSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 789.4±60.0°C at 760 mmHg (Cal.)
• Flash point: 243.8±26.4°C (Cal.)