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Tricholomenyns A
SpectraBase Compound ID J0bTGZUl6hs
InChI InChI=1S/C18H20O4/c1-11(2)6-5-7-12(3)8-9-14-10-15(21-13(4)19)17-18(22-17)16(14)20/h6,10,15,17-18H,3,5,7H2,1-2,4H3/t15-,17+,18-/m1/s1
InChIKey UDBAGMPPKFTSPW-BPQIPLTHSA-N
Mol Weight 300.35 g/mol
Molecular Formula C18H20O4
Exact Mass 300.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9pRNFaMDnqJ
Name Tricholomenyns A
Comments Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 853293 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O4
InChI InChI=1S/C18H20O4/c1-11(2)6-5-7-12(3)8-9-14-10-15(21-13(4)19)17-18(22-17)16(14)20/h6,10,15,17-18H,3,5,7H2,1-2,4H3/t15-,17+,18-/m1/s1
InChIKey UDBAGMPPKFTSPW-BPQIPLTHSA-N
Molecular Weight 300.354 g/mol
SMILES [C@]12([C@@]([C@@](C=C(C2=O)C#CC(=C)CCC=C(C)C)(OC(=O)C)[H])([H])O1)[H]
SPLASH splash10-0gb9-0390000000-090188a74e7095810f33
Source of Spectrum AT-36-5636-1
Synonyms Acetic acid [(1S,2R,6S)-4-(7-methyl-3-methyleneoct-6-en-1-ynyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl] ester [(1S,2R,6S)-4-(7-methyl-3-methylideneoct-6-en-1-ynyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl] acetate [(1S,2R,6S)-4-(7-methyl-3-methylene-oct-6-en-1-ynyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl] acetate [(1S,2R,6S)-4-(7-methyl-3-methylidene-oct-6-en-1-ynyl)-5-oxidanylidene-7-oxabicyclo[4.1.0]hept-3-en-2-yl] ethanoate
Wiley ID 1821042