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MALETTININ_C
SpectraBase Compound ID Es6oF4xhFWR
InChI InChI=1S/C16H20O5/c1-8-4-12(17)13(18)6-14-11(8)5-10(3)16(21-14)15(19)9(2)7-20-16/h4,6,9-10,15,19H,5,7H2,1-3H3,(H,17,18)/t9-,10-,15-,16-/m1/s1
InChIKey PLRNIDHEWWILCN-DJUAPZDMSA-N
Mol Weight 292.33 g/mol
Molecular Formula C16H20O5
Exact Mass 292.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F7xzAh4o4Ls
Name Malletinin C
Alternate Name(s) (2R,3R,3'R,4'R)-3',8-dihydroxy-3,4',5-trimethyl-7-spiro[3,4-dihydrocyclohepta[b]pyran-2,2'-oxolane]one (2R,3R,3'R,4'R)-3',8-dihydroxy-3,4',5-trimethylspiro[3,4-dihydrocyclohepta[b]pyran-2,2'-oxolane]-7-one (2R,3R,3'R,4'R)-3,4',5-trimethyl-3',8-bis(oxidanyl)spiro[3,4-dihydrocyclohepta[b]pyran-2,2'-oxolane]-7-one
Comments Less than 3 mono-isotopic peaks
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Formula C16H20O5
InChI InChI=1S/C16H20O5/c1-8-4-12(17)13(18)6-14-11(8)5-10(3)16(21-14)15(19)9(2)7-20-16/h4,6,9-10,15,19H,5,7H2,1-3H3,(H,17,18)/t9-,10-,15-,16-/m1/s1
InChIKey PLRNIDHEWWILCN-DJUAPZDMSA-N
Molecular Weight 292.331 g/mol
SMILES OC1=CC=2O[C@@]3([C@@]([C@@](CO3)(C)[H])(O)[H])[C@@](CC2C(=CC1=O)C)(C)[H]
SPLASH splash10-00di-0090000000-693ff371ec5ba38c52f7
Source of Spectrum X2-68-215-3
Wiley ID 1609457