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1(10)E-4Z-(7S,8S)-14-Oxo-15-senecioyloxygermacra-1(10),4,11(13)-trien-8,12-olide
SpectraBase Compound ID 1cH17lm1lTj
InChI InChI=1S/C20H24O5/c1-13(2)9-19(22)24-12-15-5-4-6-16(11-21)10-18-17(8-7-15)14(3)20(23)25-18/h6-7,9,11,17-18H,3-5,8,10,12H2,1-2H3/b15-7+,16-6-/t17-,18+/m1/s1
InChIKey IYNCTXVRKOBMAK-CJDQBARZSA-N
Mol Weight 344.41 g/mol
Molecular Formula C20H24O5
Exact Mass 344.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4xRjd24ksOA
Name 1(10)E-4Z-(7S,8S)-14-Oxo-15-senecioyloxygermacra-1(10),4,11(13)-trien-8,12-olide
Appearance gum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O5
InChI InChI=1S/C20H24O5/c1-13(2)9-19(22)24-12-15-5-4-6-16(11-21)10-18-17(8-7-15)14(3)20(23)25-18/h6-7,9,11,17-18H,3-5,8,10,12H2,1-2H3/b15-7+,16-6-/t17-,18+/m1/s1
InChIKey IYNCTXVRKOBMAK-CJDQBARZSA-N
Instrument Name Hewlett-Packard 5989A or Varian Saturn 2000
Ionization Type EI
Literature Reference DOI 10.1021/np030055p
Molecular Weight 344.407 g/mol
Reported Formula C20H24O5
SMILES C1\C(=C\CC\C(=C/C[C@]2([C@]1(OC(C2=C)=O)[H])[H])COC(C=C(C)C)=O)C=O
SPLASH splash10-001i-9110000000-01f1e24d602dfea11955
Source of Spectrum G4-66-953-7
Wiley ID 1881446