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15,16-Dinor-4.alpha.-acetoxymethoxy-12,13-epoxy-6,8,10-trichothecatriene
SpectraBase Compound ID 9q1uxkzkKSG
InChI InChI=1S/C16H18O5/c1-10(17)18-9-19-13-7-14-16(8-20-16)15(13,2)11-5-3-4-6-12(11)21-14/h3-6,13-14H,7-9H2,1-2H3/t13-,14+,15-,16-/m0/s1
InChIKey NCMONIWHVCPCNG-FZKCQIBNSA-N
Mol Weight 290.31 g/mol
Molecular Formula C16H18O5
Exact Mass 290.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2nQ565QuttU
Name 15,16-Dinor-4.alpha.-acetoxymethoxy-12,13-epoxy-6,8,10-trichothecatriene
CAS Registry Number 72229-66-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O5
InChI InChI=1S/C16H18O5/c1-10(17)18-9-19-13-7-14-16(8-20-16)15(13,2)11-5-3-4-6-12(11)21-14/h3-6,13-14H,7-9H2,1-2H3/t13-,14+,15-,16-/m0/s1
InChIKey NCMONIWHVCPCNG-FZKCQIBNSA-N
Molecular Weight 290.315 g/mol
SMILES [C@]12([C@@]3([C@@](OCOC(=O)C)(C[C@]2(Oc2ccccc32)[H])[H])C)OC1
SPLASH splash10-000f-0790000000-c90d4b4ff00058f38ca8
Source of Spectrum J-45-506-0
Synonyms [(1'S,9'R,11'S)-1'-methyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0(2,7)]dodecane]-2'(7'),3',5'-trien-11'-yloxy]methyl acetate
Wiley ID 1293563