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(+)-(2'S,3'R)-3-HYDROXYMARMESIN
SpectraBase Compound ID 3JEgYZzFS7L
InChI InChI=1S/C14H14O5/c1-14(2,17)13-12(16)8-5-7-3-4-11(15)18-9(7)6-10(8)19-13/h3-6,12-13,16-17H,1-2H3/t12-,13+/m1/s1
InChIKey AIQSGHBQRRSBCN-OLZOCXBDSA-N
Mol Weight 262.26 g/mol
Molecular Formula C14H14O5
Exact Mass 262.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Dl8qkVF1Yv
Name (2S,3R)-3-Hydroxy-2-(2-hydroxypropan-2-yl)-2H-furo[3,2-g]chromen-7(3H)-one
Appearance Colorless solid
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Formula C14H14O5
InChI InChI=1S/C14H14O5/c1-14(2,17)13-12(16)8-5-7-3-4-11(15)18-9(7)6-10(8)19-13/h3-6,12-13,16-17H,1-2H3/t12-,13+/m1/s1
InChIKey AIQSGHBQRRSBCN-OLZOCXBDSA-N
Instrument Name Finnigan SSQ7000
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.123
Molecular Weight 262.261 g/mol
Optical Rotation [a]D23 = 40.2 (c = 0.5, CHCl3)
Reported Formula C14H15O5
SMILES O[C@@]1(c2c(O[C@@]1(C(O)(C)C)[H])cc1OC(C=Cc1c2)=O)[H]
SPLASH splash10-052r-2910000000-b2b0363fb8d443d0b9ac
Source of Spectrum BJO-8-SM13-1
Thin-Layer Chromatography Rf = 0.50 (ethylacetate)
Wiley ID 1864892