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:	1535
	Name:	(2R,3aS,5aS,5bS,9R,13R,14R,16aR,16bR)-13-{[(2S,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-2-{[(2S,3S,4S,5S,6R)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-1H,2H,3H,3aH,4H,5H,5aH,5bH,6H,7H,9H,10H,11H,12H,13H,14H,15H,16aH,16bH-as-indaceno[3,2-d]oxacyclododecane-7,15-dione
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 175 Factor J
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	CAS:
	InChi Code:	InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25-,26+,27-,28-,29+,30-,31+,32+,34+,35-,37-,39+,40+,41+,42-/m1/s1