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Dihydroparthenolide diol
SpectraBase Compound ID F4YV8yAYaFE
InChI InChI=1S/C15H24O5/c1-8-9-4-6-14(2,18)10-5-7-15(3,20-10)12(16)11(9)19-13(8)17/h8-12,16,18H,4-7H2,1-3H3/t8-,9-,10+,11-,12+,14+,15-/m0/s1
InChIKey KYFOMDBPCRHQQN-VMAPVDEUSA-N
Mol Weight 284.35 g/mol
Molecular Formula C15H24O5
Exact Mass 284.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID wXc2qQcfxE
Name Dihydroparthenolide diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.162373868 u
Formula C15H24O5
InChI InChI=1S/C15H24O5/c1-8-9-4-6-14(2,18)10-5-7-15(3,20-10)12(16)11(9)19-13(8)17/h8-12,16,18H,4-7H2,1-3H3/t8-,9-,10+,11-,12+,14+,15-/m0/s1
InChIKey KYFOMDBPCRHQQN-VMAPVDEUSA-N
Instrument Name HP 5988A
Ionization Type EI
Literature Reference DOI 10.1021/np030278f
Optical Rotation [a]D20 = +14.6 (c = 0.75, CHCl3)
Quality 214
SMILES O[C@@]1(CC[C@@]2([C@@]([C@]([C@]3(O[C@@]1(CC3)[H])C)(O)[H])(OC([C@]2(C)[H])=O)[H])[H])C
SPLASH splash10-0006-9010000000-056504eee4bd0217fe88
Source of Spectrum G4-66-1556-1556-4 (DOI: 10.1021/np030278f)
Thin-Layer Chromatography 0.25
Wiley ID 1894559