(1RS,2RS,3SR,4RS,5SR)-3-ethoxycarbonyl-5-hydroxy-7-isopropyl-5-methyl-6-oxobicyclo[2.2.2]-7-ene-2-carboxylic acid

SpectraBase Compound ID	CrxMpHNEh9i
InChI	InChI=1S/C16H22O6/c1-5-22-15(20)11-9-6-8(7(2)3)10(12(11)14(18)19)13(17)16(9,4)21/h6-7,9-12,21H,5H2,1-4H3,(H,18,19)/t9-,10+,11+,12+,16+/m1/s1
InChIKey	BEQCLFVSWKKUOM-UHFFFAOYSA-N Google Search
Mol Weight	310.35 g/mol
Molecular Formula	C16H22O6
Exact Mass	310.141638 g/mol

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SpectraBase Spectrum ID	8LlSPiri7AL
Name	(1RS,2RS,3SR,4RS,5SR)-3-ethoxycarbonyl-5-hydroxy-7-isopropyl-5-methyl-6-oxobicyclo[2.2.2]-7-ene-2-carboxylic acid
CAS Registry Number	113105-42-3
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H22O6
InChI	InChI=1S/C16H22O6/c1-5-22-15(20)11-9-6-8(7(2)3)10(12(11)14(18)19)13(17)16(9,4)21/h6-7,9-12,21H,5H2,1-4H3,(H,18,19)/t9-,10+,11+,12+,16+/m1/s1
InChIKey	BEQCLFVSWKKUOM-UHFFFAOYSA-N
Molecular Weight	310.346 g/mol
SMILES	OC([C@@]1([C@]([C@]2(C=C([C@@]1(C([C@]2(O)C)=O)[H])C(C)C)[H])(C(=O)OCC)[H])[H])=O
SPLASH	splash10-0006-9400000000-71710be758f217c75fcf
Source of Spectrum	B-40-338-8
Synonyms	3-(ethoxycarbonyl)-8-hydroxy-6-isopropyl-8-methyl-7-oxobicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Wiley ID	1311412