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(-)-BERGENIN
SpectraBase Compound ID 1TReuKFFcUD
InChI InChI=1S/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3/t6-,8-,10+,12+,13-/m1/s1
InChIKey YWJXCIXBAKGUKZ-HJJNZUOJSA-N
Mol Weight 328.27 g/mol
Molecular Formula C14H16O9
Exact Mass 328.079432 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EVVpCvo0Xde
Name (2R,3S,4S,4aR,10bS)-2-(hydroxymethyl)-9-methoxy-3,4,8,10-tetrakis(oxidanyl)-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one
Alternate Name(s) (2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one (2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c][2]benzopyran-6-one (2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-9-methoxy-2-methylol-3,4,4a,10b-tetrahydro-2H-pyran[3,2-c]isochromen-6-one
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Formula C14H16O9
InChI InChI=1S/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3/t6-,8-,10+,12+,13-/m1/s1
InChIKey YWJXCIXBAKGUKZ-HJJNZUOJSA-N
Molecular Weight 328.273 g/mol
SMILES O[C@@]1([C@@]2([C@](c3c(c(c(cc3C(O2)=O)O)OC)O)(O[C@@]([C@]1(O)[H])(CO)[H])[H])[H])[H]
SPLASH splash10-0ar0-9431000000-d63bea101c9ec8380020
Source of Spectrum CD-382-0-0
Wiley ID 1325942