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GONIODIOL_DIACETATE
SpectraBase Compound ID GZs12Npk2s7
InChI InChI=1S/C17H18O6/c1-11(18)21-16(13-7-4-3-5-8-13)17(22-12(2)19)14-9-6-10-15(20)23-14/h3-8,10,14,16-17H,9H2,1-2H3/t14?,16-,17+/m0/s1
InChIKey JJGQHRYXJBODPH-MWSTZMHHSA-N
Mol Weight 318.33 g/mol
Molecular Formula C17H18O6
Exact Mass 318.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4JBd9WZCc6
Name Goniodiol diacetate
Alternate Name(s) (1R,2S)-2-(acetyloxy)-1-(6-oxo-3,6-dihydro-2H-pyran-2-yl)-2-phenylethyl acetate
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Formula C17H18O6
InChI InChI=1S/C17H18O6/c1-11(18)21-16(13-7-4-3-5-8-13)17(22-12(2)19)14-9-6-10-15(20)23-14/h3-8,10,14,16-17H,9H2,1-2H3/t14?,16-,17+/m0/s1
InChIKey JJGQHRYXJBODPH-MWSTZMHHSA-N
Molecular Weight 318.325 g/mol
SMILES [C@@]([C@@](OC(=O)C)(c1ccccc1)[H])(C1OC(=O)C=CC1)(OC(=O)C)[H]
SPLASH splash10-054o-7920000000-a3599cacc91ef1993fcc
Source of Spectrum B-48-199-0
Wiley ID 1318398