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SINULARIOLONE
SpectraBase Compound ID 7sIgTrnFRag
InChI InChI=1S/C20H30O6/c1-12-13-5-9-19(3,26-17(12)23)14(21)6-8-18(2,24)16-7-10-20(4,25-16)15(22)11-13/h13,15-16,22,24H,1,5-11H2,2-4H3/t13-,15+,16+,18-,19-,20-/m1/s1
InChIKey MMFMKUFASHHEIN-AZRLMQBVSA-N
Mol Weight 366.45 g/mol
Molecular Formula C20H30O6
Exact Mass 366.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ak5IO2wf4Gs
Name Sinulariolide
Alternate Name(s) (1R,3S,4R,7S,8R,12R)-3,8-dihydroxy-4,8,12-trimethyl-15-methylene-13,18-dioxatricyclo[10.3.2.1(4,7)]octadecane-11,14-dione
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Formula C20H30O6
InChI InChI=1S/C20H30O6/c1-12-13-5-9-19(3,26-17(12)23)14(21)6-8-18(2,24)16-7-10-20(4,25-16)15(22)11-13/h13,15-16,22,24H,1,5-11H2,2-4H3/t13-,15+,16+,18-,19-,20-/m1/s1
InChIKey MMFMKUFASHHEIN-AZRLMQBVSA-N
Molecular Weight 366.454 g/mol
SMILES O[C@]1([C@]2(O[C@@]([C@](C[C@@]3(C(C(O[C@@](C(CC1)=O)(CC3)C)=O)=C)[H])(O)[H])(CC2)C)[H])C
SPLASH splash10-000f-9500000000-7f4b2d0e632e328077bd
Source of Spectrum G4-58-1190-1
Wiley ID 1606019