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8.beta.-(2',3'-epoxy-2'-methylbutanoxy)-4.alpha.-hydroxy-14-oxo-5.alpha.H,6.beta.H,7.alpha.H-guai-1(10),2,11(13)-triene-6,12-olide
SpectraBase Compound ID JuCDhDdUfqX
InChI InChI=1S/C20H22O7/c1-9-14-13(25-18(23)20(4)10(2)27-20)7-11(8-21)12-5-6-19(3,24)15(12)16(14)26-17(9)22/h5-6,8,10,13-16,24H,1,7H2,2-4H3/t10-,13+,14+,15-,16-,19+,20-/m0/s1
InChIKey SGEYSJZTBIOROY-OKHODCCLSA-N
Mol Weight 374.39 g/mol
Molecular Formula C20H22O7
Exact Mass 374.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID kZ3SvyjnzN
Name 8.beta.-(2',3'-epoxy-2'-methylbutanoxy)-4.alpha.-hydroxy-14-oxo-5.alpha.H,6.beta.H,7.alpha.H-guai-1(10),2,11(13)-triene-6,12-olide
Alternate Name(s) Eupachinilide G
Appearance Gum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O7
InChI InChI=1S/C20H22O7/c1-9-14-13(25-18(23)20(4)10(2)27-20)7-11(8-21)12-5-6-19(3,24)15(12)16(14)26-17(9)22/h5-6,8,10,13-16,24H,1,7H2,2-4H3/t10-,13+,14+,15-,16-,19+,20-/m0/s1
InChIKey SGEYSJZTBIOROY-OKHODCCLSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1021/np0304159
Molecular Weight 374.389 g/mol
Optical Rotation [a]D20 = -216.5 (c = 0.65, CH3OH)
Reported Formula C20H22O7
SMILES O[C@]1([C@]2(C(=C(C[C@]([C@@]3([C@@]2(OC(C3=C)=O)[H])[H])(OC([C@]2(C)[C@@](O2)(C)[H])=O)[H])C=O)C=C1)[H])C
SPLASH splash10-0690-1592000000-f681a4736f541d7cf705
Source of Spectrum G4-67-643-7
Wiley ID 1881714