John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=187ngZnsbn SpectraBase Spectrum ID=85MgnzlNYAq

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(2S,3S)-3-Hydroxy-5,6-dimethoxy-dehydroiso-.alpha.-Lapachone
SpectraBase Compound ID 187ngZnsbn
InChI InChI=1S/C17H16O6/c1-7(2)15-14(20)11-13(19)10-8(12(18)17(11)23-15)5-6-9(21-3)16(10)22-4/h5-6,14-15,20H,1H2,2-4H3/t14-,15-/m0/s1
InChIKey QFPKXGPJZCHPEH-GJZGRUSLSA-N
Mol Weight 316.31 g/mol
Molecular Formula C17H16O6
Exact Mass 316.094688 g/mol

Mass Spectrum (MS)

Mass Spectrum (MS)

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SpectraBase Spectrum ID 85MgnzlNYAq
Name (2S,3S)-3-Hydroxy-5,6-dimethoxy-dehydroiso-.alpha.-Lapachone
Alternate Name(s) (2S,3S)-3-hydroxy-5,6-dimethoxy-2-(1-methylethenyl)-2,3-dihydrobenzo[f]benzofuran-4,9-dione (2S,3S)-3-hydroxy-5,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione (2S,3S)-3-hydroxy-2-isopropenyl-5,6-dimethoxy-2,3-dihydrobenzo[f]benzofuran-4,9-dione (2S,3S)-5,6-dimethoxy-3-oxidanyl-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
Classification Naphthofurans
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Formula C17H16O6
InChI InChI=1S/C17H16O6/c1-7(2)15-14(20)11-13(19)10-8(12(18)17(11)23-15)5-6-9(21-3)16(10)22-4/h5-6,14-15,20H,1H2,2-4H3/t14-,15-/m0/s1
InChIKey QFPKXGPJZCHPEH-GJZGRUSLSA-N
SPLASH splash10-0a4i-9451000000-b2ea7348b569cf9d9c8d
Source of Spectrum X2-56-1505-1
SpectraBase Batch ID Jsi3DYKAAVn