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2-(Acetyloxy)-4-{5-(acetyloxy)-4-oxo-7-[(2,3,4,6-tetra-o-acetyl-beta-D-glucopyranosyl)oxy]-4H-chromen-2-yl}phenyl acetate

View entire compound with spectra: 2 NMR

2-(Acetyloxy)-4-{5-(acetyloxy)-4-oxo-7-[(2,3,4,6-tetra-o-acetyl-beta-D-glucopyranosyl)oxy]-4H-chromen-2-yl}phenyl acetate
SpectraBase Compound ID IfVEqCi4FCU
InChI InChI=1S/C35H34O18/c1-15(36)44-14-30-32(48-19(5)40)33(49-20(6)41)34(50-21(7)42)35(53-30)51-23-11-28(47-18(4)39)31-24(43)13-26(52-29(31)12-23)22-8-9-25(45-16(2)37)27(10-22)46-17(3)38/h8-13,30,32-35H,14H2,1-7H3
InChIKey JDAPIOVVXOAJOM-UHFFFAOYSA-N
Mol Weight 742.6 g/mol
Molecular Formula C35H34O18
Exact Mass 742.174514 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Mwi99To2Gh
Name 2-(Acetyloxy)-4-{5-(acetyloxy)-4-oxo-7-[(2,3,4,6-tetra-o-acetyl-beta-D-glucopyranosyl)oxy]-4H-chromen-2-yl}phenyl acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 742.174514237 u
Formula C35H34O18
InChI InChI=1S/C35H34O18/c1-15(36)44-14-30-32(48-19(5)40)33(49-20(6)41)34(50-21(7)42)35(53-30)51-23-11-28(47-18(4)39)31-24(43)13-26(52-29(31)12-23)22-8-9-25(45-16(2)37)27(10-22)46-17(3)38/h8-13,30,32-35H,14H2,1-7H3
InChIKey JDAPIOVVXOAJOM-UHFFFAOYSA-N
Molecular Weight 742.639 g/mol
SMILES C1(C(C(OC(=O)C)C(OC1OC1=CC=2OC(C3=CC(OC(=O)C)=C(C=C3)OC(=O)C)=CC(C2C(=C1)OC(=O)C)=O)COC(=O)C)OC(=O)C)OC(=O)C