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OLIGANDRUMIN_D
SpectraBase Compound ID Ey1JAUBCXgM
InChI InChI=1S/C15H20O6/c1-9(16)12(2)8-20-10(17)6-14-7-11(18)21-13(14,3)4-5-15(12,14)19/h19H,4-8H2,1-3H3/t12-,13+,14+,15+/m1/s1
InChIKey QTRIFUJLMWOHRH-QPSCCSFWSA-N
Mol Weight 296.32 g/mol
Molecular Formula C15H20O6
Exact Mass 296.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 21HNzwI4u5h
Name Oligandrumin D
Appearance White, amorphous powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O6
InChI InChI=1S/C15H20O6/c1-9(16)12(2)8-20-10(17)6-14-7-11(18)21-13(14,3)4-5-15(12,14)19/h19H,4-8H2,1-3H3/t12-,13+,14+,15+/m1/s1
InChIKey QTRIFUJLMWOHRH-QPSCCSFWSA-N
Instrument Name Finnigan MAT-95
Ionization Type EI
Literature Reference DOI 10.1021/np8004979
Molecular Weight 296.319 g/mol
Optical Rotation [a]D23 = +20.6 (c = 0.345, MeOH)
Reported Formula C15H20O6
SMILES O[C@]12[C@@]3([C@](CC2)(OC(C3)=O)C)CC(OC[C@]1(C)C(=O)C)=O
SPLASH splash10-014r-9670000000-2a06f9cfdfe531d8192e
Source of Spectrum G4-72-241-4
Wiley ID 1872148