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Monochasiol F
SpectraBase Compound ID IrlQssCcoi3
InChI InChI=1S/C20H31ClO2/c1-2-3-4-7-10-16-14-17(16)11-8-5-6-9-15-12-18(22)20(21)19(23)13-15/h12-13,16-17,22-23H,2-11,14H2,1H3/t16-,17+/m0/s1
InChIKey WFJSMFZUBOMYNK-DLBZAZTESA-N
Mol Weight 338.92 g/mol
Molecular Formula C20H31ClO2
Exact Mass 338.201258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FNht9jpPUG7
Name Monochasiol F
Appearance Colorless, amorphous solid
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Formula C20H31ClO2
InChI InChI=1S/C20H31ClO2/c1-2-3-4-7-10-16-14-17(16)11-8-5-6-9-15-12-18(22)20(21)19(23)13-15/h12-13,16-17,22-23H,2-11,14H2,1H3/t16-,17+/m0/s1
InChIKey WFJSMFZUBOMYNK-DLBZAZTESA-N
Instrument Name JEOL JMS-700 / JMS-DX303
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.7b00456
Molecular Weight 338.919 g/mol
Optical Rotation [a]D =-1.4 (c = 0.38, CHCl3)
Reported Formula C20H31O2(35)Cl
SMILES Oc1cc(cc(c1Cl)O)CCCCC[C@@]1(C[C@@]1(CCCCCC)[H])[H]
SPLASH splash10-0a6r-0943000000-17d0cfd1d00e1191e516
Source of Spectrum G4-80-SM34-6
Wiley ID 1867581