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(1RS,2SR,3RS,4RS,6SR)-6-acetoxy-8-isopropyl-3-methoxycarbonyl-6-methyl-5-oxobicyclo[2.2.2]oct-7-ene-2-carboxylic acid
SpectraBase Compound ID JjazX5PO2i6
InChI InChI=1S/C17H22O7/c1-7(2)9-6-10-11(16(22)23-5)12(15(20)21)13(9)17(4,14(10)19)24-8(3)18/h6-7,10-13H,1-5H3,(H,20,21)/t10-,11-,12+,13+,17-/m1/s1
InChIKey JUIYXWNEBKCZOO-UHFFFAOYSA-N
Mol Weight 338.36 g/mol
Molecular Formula C17H22O7
Exact Mass 338.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FLHHWlduaM9
Name (1RS,2SR,3RS,4RS,6SR)-6-acetoxy-8-isopropyl-3-methoxycarbonyl-6-methyl-5-oxobicyclo[2.2.2]oct-7-ene-2-carboxylic acid
CAS Registry Number 113105-38-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O7
InChI InChI=1S/C17H22O7/c1-7(2)9-6-10-11(16(22)23-5)12(15(20)21)13(9)17(4,14(10)19)24-8(3)18/h6-7,10-13H,1-5H3,(H,20,21)/t10-,11-,12+,13+,17-/m1/s1
InChIKey JUIYXWNEBKCZOO-UHFFFAOYSA-N
Molecular Weight 338.356 g/mol
SMILES OC([C@@]1([C@]2([C@](C([C@@]([C@]1(C(=O)OC)[H])(C=C2C(C)C)[H])=O)(OC(=O)C)C)[H])[H])=O
SPLASH splash10-0006-9300000000-64818e9bd39dfbe31436
Source of Spectrum B-40-338-8
Synonyms 7-(acetyloxy)-6-isopropyl-3-(methoxycarbonyl)-7-methyl-8-oxobicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Wiley ID 1333593