Spinosyn B
[CAS# 131929-61-8]

Identification

• Name: Spinosyn B
• Synonyms: Spinosyn B; (2R,3As,5Ar,5Bs,9S,13S,14R,16As,16Br)-9-Ethyl-14-Methyl-13-{[(2R,5S,6R)-6-Methyl-5-(Methylamino)Tetrahydro-2H-Pyran-2-Yl]Oxy}-7,15-Dioxo-2,3,3A,5A,5B,6,7,9,10,11,12,13,14,15,16A,16B-Hexadecahydro-1H-As-Indaceno[3,2-D]Oxacyclododecin-2-Yl 6-Deoxy-2,3,4-Tri-O-Methyl-Alpha-L-Mannopyranoside; Chebi:9231
• Molecular Formula: C₄₀H₆₃NO₁₀
• Molecular Weight: 717.94
• CAS Registry Number: 131929-61-8
• SMILES: [C@H]24[C@H]([C@@H]1CC(O[C@H](CCC[C@@H]([C@H](C(C1=C2)=O)C)O[C@@H]3O[C@@H]([C@@H](NC)CC3)C)CC)=O)C=C[C@H]6[C@H]4C[C@H](O[C@H]5[C@@H]([C@@H]([C@@H](OC)[C@@H](O5)C)OC)OC)C6
• InChI: 1S/C40H63NO10/c1-9-25-11-10-12-33(51-35-16-15-32(41-5)22(3)47-35)21(2)36(43)31-19-29-27(30(31)20-34(42)49-25)14-13-24-17-26(18-28(24)29)50-40-39(46-8)38(45-7)37(44-6)23(4)48-40/h13-14,19,21-30,32-33,35,37-41H,9-12,15-18,20H2,1-8H3/t21-,22-,23+,24-,25+,26-,27-,28-,29-,30+,32+,33+,35+,37+,38-,39-,40+/m1/s1
• InChIKey: VESRDXZDAAOUHS-KXRJSVEISA-N

Properties

• Density: 1.172g/cm³ (Cal.)
• Boiling point: 800.802°C at 760 mmHg (Cal.)
• Flash point: 438.11°C (Cal.)