(3aS,3bR,5aS,9aS,11aR)-rel-2-methyl-3b,4,5,5a,9,9a,11,11a-octahydroisochromeno[6,5-e]isoindole-1,3,6(2H,3aH,8H)-trione

SpectraBase Compound ID	LlgaZB1Ftpn
InChI	InChI=1S/C16H19NO4/c1-17-14(18)12-5-2-8-9-6-7-21-16(20)11(9)4-3-10(8)13(12)15(17)19/h2,9-13H,3-7H2,1H3/t9-,10+,11+,12-,13+/m1/s1
InChIKey	IUXCTORPUSKROI-SJHCENCUSA-N Google Search
Mol Weight	289.33 g/mol
Molecular Formula	C16H19NO4
Exact Mass	289.131408 g/mol

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SpectraBase Spectrum ID	2D95wXuU710
Name	(3aS,3bR,5aS,9aS,11aR)-rel-2-methyl-3b,4,5,5a,9,9a,11,11a-octahydroisochromeno[6,5-e]isoindole-1,3,6(2H,3aH,8H)-trione
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H19NO4
InChI	InChI=1S/C16H19NO4/c1-17-14(18)12-5-2-8-9-6-7-21-16(20)11(9)4-3-10(8)13(12)15(17)19/h2,9-13H,3-7H2,1H3/t9-,10+,11+,12-,13+/m1/s1
InChIKey	IUXCTORPUSKROI-SJHCENCUSA-N
Literature Reference DOI	10.1021/ol062869d
Molecular Weight	289.331 g/mol
SMILES	C1[C@@]2([C@@]3([H])[C@](CC=C2[C@@]2([C@](C1)(C(OCC2)=O)[H])[H])([H])C(=O)N(C)C3=O)[H]
SPLASH	splash10-0a4i-9360000000-c2221107e7fcf84594a6
Source of Spectrum	A1-9-615/SMS12-12a
Synonyms	(3aS,3bR,5aS,9aS,11aR)-2-methyl-3b,4,5,5a,9,9a,11,11a-octahydroisochromeno[6,5-e]isoindole-1,3,6(2H,3aH,8H)-trione
Wiley ID	1757846