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(-)-cis-Khellactone

View entire compound with spectra: 5 NMR, and 1 MS (GC)

(-)-cis-Khellactone
SpectraBase Compound ID AMe797ZfNaT
InChI InChI=1S/C14H14O5/c1-14(2)13(17)11(16)10-8(19-14)5-3-7-4-6-9(15)18-12(7)10/h3-6,11,13,16-17H,1-2H3/t11-,13-/m0/s1
InChIKey HKXQUNNSKMWIKJ-AAEUAGOBSA-N
Mol Weight 262.26 g/mol
Molecular Formula C14H14O5
Exact Mass 262.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3kQwwWGrRhA
Name (-)-cis-Khellactone
Alternate Name(s) (9S,10S)-9,10-dihydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f][1]benzopyran-2-one (9S,10S)-8,8-dimethyl-9,10-bis(oxidanyl)-9,10-dihydropyrano[2,3-f]chromen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14O5
InChI InChI=1S/C14H14O5/c1-14(2)13(17)11(16)10-8(19-14)5-3-7-4-6-9(15)18-12(7)10/h3-6,11,13,16-17H,1-2H3/t11-,13-/m0/s1
InChIKey HKXQUNNSKMWIKJ-AAEUAGOBSA-N
Molecular Weight 262.261 g/mol
SMILES O[C@@]1([C@@](C(Oc2ccc3C=CC(Oc3c12)=O)(C)C)(O)[H])[H]
SPLASH splash10-01ox-0920000000-76265b1f2ff2117c38f6
Source of Spectrum O1-60-1918-2
Wiley ID 1592203