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EUPALINILIDE-F;8-BETA-(4'-HYDROXYTIGLOYLOXY)-2-BETA,10-ALPHA,14-TRIHYDROXY-1-ALPHA-H,5-ALPHA-H,6-BETA-H,7-ALPHA-H-GUAI-3,11(13)-DIEN-6,12-OLIDE
SpectraBase Compound ID 8QGkEg157Dc
InChI InChI=1S/C20H26O8/c1-9(4-5-21)18(24)27-13-7-20(26,8-22)16-12(23)6-10(2)14(16)17-15(13)11(3)19(25)28-17/h4,6,12-17,21-23,26H,3,5,7-8H2,1-2H3/b9-4+/t12-,13-,14+,15-,16-,17-,20+/m1/s1
InChIKey BWFIEPPPOFKOKO-NPUYJLKLSA-N
Mol Weight 394.42 g/mol
Molecular Formula C20H26O8
Exact Mass 394.162768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4f5egREuZc
Name 8.beta.-(4'-hydroxytigloyloxy)-2.beta.,10.alpha.,14-trihydroxy-1.alpha.H,5.alpha.H,6.beta.H,7.alpha.H-guai-3,11(13)-dien-6,12-olide
Alternate Name(s) Eupalinilide F
Appearance Colorless gum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O8
InChI InChI=1S/C20H26O8/c1-9(4-5-21)18(24)27-13-7-20(26,8-22)16-12(23)6-10(2)14(16)17-15(13)11(3)19(25)28-17/h4,6,12-17,21-23,26H,3,5,7-8H2,1-2H3/b9-4+/t12-,13-,14+,15-,16-,17-,20+/m1/s1
InChIKey BWFIEPPPOFKOKO-NPUYJLKLSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1021/np040023h
Molecular Weight 394.420 g/mol
Optical Rotation [a]D20 = -38.0 (c = 1.3, CH3OH)
Reported Formula C20H26O8
SMILES O[C@]1(CO)C[C@]([C@@]2([C@@]([C@@]3([C@]1([C@@](C=C3C)(O)[H])[H])[H])(OC(C2=C)=O)[H])[H])(OC(=O)\C(C)=C\CO)[H]
SPLASH splash10-002b-9017000000-c8ca060cd3f0f6021603
Source of Spectrum G4-67-1474-6
Wiley ID 1881879