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11,13-Dihydro-13-hydroxydeacylcynaropicrin

View entire compound with spectra: 1 NMR, and 1 MS (GC)

11,13-Dihydro-13-hydroxydeacylcynaropicrin
SpectraBase Compound ID ImRtR2e97Cg
InChI InChI=1S/C15H20O5/c1-6-3-11(18)13-9(5-16)15(19)20-14(13)12-7(2)10(17)4-8(6)12/h8-14,16-18H,1-5H2/t8-,9-,10-,11-,12-,13+,14+/m0/s1
InChIKey VVKKWWJLJGZSFI-CLSQCYNNSA-N
Mol Weight 280.32 g/mol
Molecular Formula C15H20O5
Exact Mass 280.131074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9YAoN8BhVGE
Name 11,13-Dihydro-13-hydroxydeacylcynaropicrin
Comments Computed using HOSE algorithm
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Exact Mass 280.131073739 u
Formula C15H20O5
InChI InChI=1S/C15H20O5/c1-6-3-11(18)13-9(5-16)15(19)20-14(13)12-7(2)10(17)4-8(6)12/h8-14,16-18H,1-5H2/t8-,9-,10-,11-,12-,13+,14+/m0/s1
InChIKey VVKKWWJLJGZSFI-CLSQCYNNSA-N
SMILES [C@@]12([C@@]3([C@](C(=C)C[C@@]([C@]2([C@](CO)(C(O1)=O)[H])[H])(O)[H])(C[C@@](C3=C)(O)[H])[H])[H])[H]