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EUPALINILIDE-H;8-BETA-TIGLOYLOXY-14-CHLORO-3-ALPHA,4-ALPHA-EPOXY-2-BETA,10-DIHYDROXY-1-ALPHA-H,5-ALPHA-H,6-BETA-H,7-ALPHA-H-GUAI-11(13)-EN-6,12-OLI
SpectraBase Compound ID Ev7U3Y5haMB
InChI InChI=1S/C20H25ClO7/c1-5-8(2)17(23)26-10-6-20(25,7-21)12-13(19(4)16(28-19)14(12)22)15-11(10)9(3)18(24)27-15/h5,10-16,22,25H,3,6-7H2,1-2,4H3/b8-5+/t10-,11-,12+,13+,14+,15+,16-,19+,20+/m1/s1
InChIKey BIPHVHCLTIDQTE-QATWYSQASA-N
Mol Weight 412.87 g/mol
Molecular Formula C20H25ClO7
Exact Mass 412.128881 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1H7zOBl0KuS
Name 8.beta.-tigloyloxy-14-chloro-3.alpha.,4.alpha.-epoxy-2.beta.,10-dihydroxy-1.alpha.H,5.alpha.H,6.beta.H,7.alpha.H-guai-11(13)-en-6,12-olide
Alternate Name(s) Eupalinilide H
Appearance Colorless gum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25ClO7
InChI InChI=1S/C20H25ClO7/c1-5-8(2)17(23)26-10-6-20(25,7-21)12-13(19(4)16(28-19)14(12)22)15-11(10)9(3)18(24)27-15/h5,10-16,22,25H,3,6-7H2,1-2,4H3/b8-5+/t10-,11-,12+,13+,14+,15+,16-,19+,20+/m1/s1
InChIKey BIPHVHCLTIDQTE-QATWYSQASA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1021/np040023h
Molecular Weight 412.866 g/mol
Optical Rotation [a]D20 = -45.0 (c = 1.5, CHCl3)
Reported Formula C20H25ClO7
SMILES O[C@]1([C@]2([C@]([C@]3([C@@]([C@]2(O)[H])(O3)[H])C)([C@@]2([C@@]([C@@](C1)(OC(=O)\C(C)=C\C)[H])(C(C(O2)=O)=C)[H])[H])[H])[H])CCl
SPLASH splash10-053r-9322000000-041db9761dfec119caab
Source of Spectrum G4-67-1475-8
Wiley ID 1881881