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Orcinol .beta.-D-glucoside, pentaacetate

View entire compound with spectra: 1 NMR, and 1 FTIR

Orcinol .beta.-D-glucoside, pentaacetate
SpectraBase Compound ID Hp6YTgNS43j
InChI InChI=1S/C23H28O12/c1-11-7-17(30-13(3)25)9-18(8-11)34-23-22(33-16(6)28)21(32-15(5)27)20(31-14(4)26)19(35-23)10-29-12(2)24/h7-9,19-23H,10H2,1-6H3/t19-,20-,21+,22-,23-/m1/s1
InChIKey SIEIPXHJYAMQOE-XNBWIAOKSA-N
Mol Weight 496.47 g/mol
Molecular Formula C23H28O12
Exact Mass 496.158076 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 22YdH8NYM5S
Name Orcinol .beta.-D-glucoside, pentaacetate
Comments Computed using HOSE algorithm
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Exact Mass 496.158076330 u
Formula C23H28O12
InChI InChI=1S/C23H28O12/c1-11-7-17(30-13(3)25)9-18(8-11)34-23-22(33-16(6)28)21(32-15(5)27)20(31-14(4)26)19(35-23)10-29-12(2)24/h7-9,19-23H,10H2,1-6H3/t19-,20-,21+,22-,23-/m1/s1
InChIKey SIEIPXHJYAMQOE-XNBWIAOKSA-N
Molecular Weight 496.465 g/mol
SMILES [C@@]1(OC2=CC(C)=CC(OC(=O)C)=C2)([C@@]([C@]([C@@]([C@](O1)(COC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])[H]