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8-ALPHA-(2'R,3'R-EPOXY-2'-METHYLBUTURYLOXY)-9-ALPHA-HYDROXY-(11,13)-DEHYDROMONTAHIBISCIOLIDE
SpectraBase Compound ID 54sFrXmq6HQ
InChI InChI=1S/C20H24O6/c1-9-7-6-8-10(2)20(23)14(9)15-13(11(3)17(21)24-15)16(20)25-18(22)19(5)12(4)26-19/h8,12-16,23H,1,3,6-7H2,2,4-5H3/t12-,13+,14+,15-,16-,19-,20+/m1/s1
InChIKey YDLPHQOVJALSSU-ATSKHQAFSA-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 834U91KfQjU
Name 8r.alpha.((2'R,3'R)-2',3'-Epoxy-2'-methylbutyryloxy)-9.alpha.-hydroxy-(11,13)-dehydromontahibisciolide
Appearance gum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O6
InChI InChI=1S/C20H24O6/c1-9-7-6-8-10(2)20(23)14(9)15-13(11(3)17(21)24-15)16(20)25-18(22)19(5)12(4)26-19/h8,12-16,23H,1,3,6-7H2,2,4-5H3/t12-,13+,14+,15-,16-,19-,20+/m1/s1
InChIKey YDLPHQOVJALSSU-ATSKHQAFSA-N
Instrument Name Finnigan MAT 8200 or Finnigan TSQ 7000 or Agilent 5890 series GC-5973 Network MSD
Ionization Type EI
Literature Reference DOI 10.1021/np034072q
Molecular Weight 360.406 g/mol
Optical Rotation [a]D20 = -82 (c = 0.050, MeOH)
Reported Formula C20H24O6
SMILES O[C@@]12C(=CCCC([C@]1([C@@]1(OC(C([C@@]1([C@]2(OC(=O)[C@]1(C)O[C@@]1(C)[H])[H])[H])=C)=O)[H])[H])=C)C
SPLASH splash10-052f-7910000000-439315d6c6a0da34b2ce
Source of Spectrum G4-67-629-5
Wiley ID 1881769