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Madolin-G

View entire compound with spectra: 1 MS (GC)

Madolin-G
SpectraBase Compound ID 9ZlU3hBg68e
InChI InChI=1S/C17H24O4/c1-11(19)20-14-6-7-17(3)15(21-17)5-4-12(10-18)8-13-9-16(13,14)2/h8,10,13-15H,4-7,9H2,1-3H3/b12-8-/t13-,14-,15+,16-,17+/m1/s1
InChIKey QUVFNMMNIZJDRT-YTWJQGJQSA-N
Mol Weight 292.38 g/mol
Molecular Formula C17H24O4
Exact Mass 292.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5jLvhGnhfpq
Name Madolin-G
Alternate Name(s) (1R,2R,5S,7S,12S)-10-formyl-1,5-dimethyl-6-oxatricyclo[10.1.0.0(5,7)]tridec-10-en-2-yl acetate Acetic acid (Z)-(1R,2R,5S,7S,12S)-10-formyl-1,5-dimethyl-6-oxa-tricyclo[10.1.0.0*5,7*]tridec-10-en-2-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O4
InChI InChI=1S/C17H24O4/c1-11(19)20-14-6-7-17(3)15(21-17)5-4-12(10-18)8-13-9-16(13,14)2/h8,10,13-15H,4-7,9H2,1-3H3/b12-8-/t13-,14-,15+,16-,17+/m1/s1
InChIKey QUVFNMMNIZJDRT-YTWJQGJQSA-N
Molecular Weight 292.375 g/mol
SMILES [C@@]12([C@@](\C=C/(C=O)CC[C@]3([C@](CC[C@]2(OC(=O)C)[H])(O3)C)[H])([H])C1)C
SPLASH splash10-0006-9550000000-7e585d2ce9ae975affc0
Source of Spectrum AT-39-8148-2
Wiley ID 854307