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Bacillariolide I
SpectraBase Compound ID JchO2ElgDFZ
InChI InChI=1S/C20H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-19-16(20(22)23-18)14-15-17(19)21/h3-4,6-7,9-10,12-13,16-19,21H,2,5,8,11,14-15H2,1H3/b4-3+,7-6+,10-9+,13-12-/t16-,17+,18-,19-/m0/s1
InChIKey MUYSCJDPOFJXIF-VFICICIJSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Bid65FGTHw
Name Bacillariolide I
Comments Less than 3 mono-isotopic peaks
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Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-19-16(20(22)23-18)14-15-17(19)21/h3-4,6-7,9-10,12-13,16-19,21H,2,5,8,11,14-15H2,1H3/b4-3+,7-6+,10-9+,13-12-/t16-,17+,18-,19-/m0/s1
InChIKey MUYSCJDPOFJXIF-VFICICIJSA-N
Molecular Weight 316.441 g/mol
SMILES O[C@]1([C@@]2([C@@](C(O[C@]2(\C=C/C\C=C\C\C=C\C\C=C\CC)[H])=O)(CC1)[H])[H])[H]
SPLASH splash10-014i-9000000000-6d47c1f0c95db5d16d81
Source of Spectrum F-56-8091-2
Synonyms Bacillariolide II
Wiley ID 858925