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1-Oxo-6.beta.-senecioyloxy-8.alpha.-hydroxyeremophil-7(11),9-(10)-dien-8.beta.(12)-olide
SpectraBase Compound ID Kq0PH6oC4jD
InChI InChI=1S/C20H24O6/c1-10(2)8-15(22)25-17-16-12(4)18(23)26-20(16,24)9-13-14(21)7-6-11(3)19(13,17)5/h8-9,11,17,24H,6-7H2,1-5H3/t11-,17+,19+,20+/m0/s1
InChIKey VZTXGPWRBOVDPF-GUDLYQINSA-N
Mol Weight 360.41 g/mol
Molecular Formula C20H24O6
Exact Mass 360.157288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2GMaz0RAfXd
Name 1-Oxo-6.beta.-senecioyloxy-8.alpha.-hydroxyeremophil-7(11),9-(10)-dien-8.beta.(12)-olide
Appearance Colorless gum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O6
InChI InChI=1S/C20H24O6/c1-10(2)8-15(22)25-17-16-12(4)18(23)26-20(16,24)9-13-14(21)7-6-11(3)19(13,17)5/h8-9,11,17,24H,6-7H2,1-5H3/t11-,17+,19+,20+/m0/s1
InChIKey VZTXGPWRBOVDPF-GUDLYQINSA-N
Instrument Name HP-5988
Ionization Type EI
Literature Reference DOI 10.1021/np010535l
Molecular Weight 360.406 g/mol
Optical Rotation [a]D25 = -120 (c = 0.10, acetone)
Reported Formula C20H24O6
SMILES O[C@@]12C=C3C(CC[C@@]([C@]3([C@@](C1=C(C(O2)=O)C)(OC(C=C(C)C)=O)[H])C)(C)[H])=O
SPLASH splash10-001i-9070000000-4b7aa0a31976ee89f5cb
Source of Spectrum G4-65-716-4
Wiley ID 1881132