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EUPALINILIDE-B;8-BETA-(4'-HYDROXYTIGLOYLOXY)-4-ALPHA-HYDROXY-1-ALPHA-H,5-ALPHA-H,6-BETA-H,7-ALPHA-H-GUAI-2,10(14),11(13)-TRIEN-6,12-OLIDE
SpectraBase Compound ID 4blO9OtAuWs
InChI InChI=1S/C20H24O6/c1-10(6-8-21)18(22)25-14-9-11(2)13-5-7-20(4,24)16(13)17-15(14)12(3)19(23)26-17/h5-7,13-17,21,24H,2-3,8-9H2,1,4H3/b10-6+/t13-,14+,15+,16-,17-,20+/m0/s1
InChIKey HCGYMFPNEDDKQY-LSOVPSQHSA-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 KF499pleG0T
Name 8.beta.-(4'-hydroxytigloyloxy)-4.alpha.-hydroxy-1.alpha.H,5.alpha.H,6.beta.H,7.alpha.H-guai-2,10-(14),11(13)-trien-6,12-olide
Alternate Name(s) Eupalinilide B
Appearance Colorless gum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O6
InChI InChI=1S/C20H24O6/c1-10(6-8-21)18(22)25-14-9-11(2)13-5-7-20(4,24)16(13)17-15(14)12(3)19(23)26-17/h5-7,13-17,21,24H,2-3,8-9H2,1,4H3/b10-6+/t13-,14+,15+,16-,17-,20+/m0/s1
InChIKey HCGYMFPNEDDKQY-LSOVPSQHSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1021/np040023h
Molecular Weight 360.406 g/mol
Optical Rotation [a]D20 = -84.9 (c = 0.67, CHCl3)
Reported Formula C20H24O6
SMILES OC\C=C\(C(O[C@@]1(CC([C@]2([C@]([C@](C=C2)(C)O)([C@@]2([C@@]1(C(C(O2)=O)=C)[H])[H])[H])[H])=C)[H])=O)C
SPLASH splash10-001i-9130000000-f91d1f483e7f6f6ff69c
Source of Spectrum G4-67-1474-2
Wiley ID 1881875