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(+)-(4R,5S,7R,11R)-11,12-epoxynootkatone
SpectraBase Compound ID EX4mlxRIUcw
InChI InChI=1S/C15H22O2/c1-10-6-13(16)7-11-4-5-12(8-14(10,11)2)15(3)9-17-15/h7,10,12H,4-6,8-9H2,1-3H3/t10-,12-,14+,15+/m1/s1
InChIKey JUWSZKSYEBPKOW-DWZYQQQCSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 36hUPs2hwO
Name (+)-(4R,5S,7R,11R)-11,12-epoxynootkatone
Appearance Beige oil
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Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-10-6-13(16)7-11-4-5-12(8-14(10,11)2)15(3)9-17-15/h7,10,12H,4-6,8-9H2,1-3H3/t10-,12-,14+,15+/m1/s1
InChIKey JUWSZKSYEBPKOW-DWZYQQQCSA-N
Instrument Name Agilent 7890 A-5975 C
Ionization Type EI positive ion
Literature Reference DOI 10.1002/cctc.202101564
Molecular Weight 234.339 g/mol
SMILES C1C(=O)C=C2CC[C@@]([C@]3(OC3)C)(C[C@@]2(C)[C@@]1(C)[H])[H]
SPLASH splash10-07fu-4920000000-59a301db7574bee922e1
Source of Spectrum CCC-14-7-11
Wiley ID 1871755