Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

	ID:	1537
	Name:	(2S,3aR,5aR,5bS,9S,13S,14R,16aR,16bR)-13-{[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-14-methyl-9-propyl-2-{[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-1H,2H,3H,3aH,5aH,5bH,6H,7H,8H,9H,10H,11H,12H,13H,14H,15H,16aH,16bH-cyclododeca[b]as-indacene-7,15-dione
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Spinosad Factor A
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	CAS:
	InChi Code:	InChI=1S/C40H63NO9/c1-7-9-24-10-8-11-34(50-35-15-14-33(41(5)6)22(3)47-35)21(2)36(43)32-20-31-28(30(32)18-26(42)16-24)13-12-25-17-27(19-29(25)31)49-40-39(46)38(45)37(44)23(4)48-40/h12-13,20-25,27-31,33-35,37-40,44-46H,7-11,14-19H2,1-6H3/t21-,22+,23-,24+,25+,27+,28+,29-,30+,31+,33+,34+,35+,37+,38+,39+,40-/m1/s1