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[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-4-Acetyloxy-3-hydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate, hexaacetate

View entire compound with spectra: 1 NMR

[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-4-Acetyloxy-3-hydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate, hexaacetate
SpectraBase Compound ID 3e9EwscVX9e
InChI InChI=1S/C35H42O19/c1-18(36)44-16-27-30(48-21(4)39)33(51-24(7)42)35(53-27,17-46-19(2)37)54-34-32(50-23(6)41)31(49-22(5)40)29(47-20(3)38)26(52-34)15-45-28(43)14-13-25-11-9-8-10-12-25/h8-14,26-27,29-34H,15-17H2,1-7H3/b14-13+/t26-,27-,29-,30-,31+,32-,33+,34-,35+/m1/s1
InChIKey YZGKBLAWNMKSFT-ZLBGKMKZSA-N
Mol Weight 766.7 g/mol
Molecular Formula C35H42O19
Exact Mass 766.232029 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F1EtaWyrLMw
Name [(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-4-Acetyloxy-3-hydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate, hexaacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 766.232029113 u
Formula C35H42O19
InChI InChI=1S/C35H42O19/c1-18(36)44-16-27-30(48-21(4)39)33(51-24(7)42)35(53-27,17-46-19(2)37)54-34-32(50-23(6)41)31(49-22(5)40)29(47-20(3)38)26(52-34)15-45-28(43)14-13-25-11-9-8-10-12-25/h8-14,26-27,29-34H,15-17H2,1-7H3/b14-13+/t26-,27-,29-,30-,31+,32-,33+,34-,35+/m1/s1
InChIKey YZGKBLAWNMKSFT-ZLBGKMKZSA-N
Molecular Weight 766.702 g/mol
SMILES C(OC[C@@]1([C@]([C@@]([C@]([C@@](O[C@]2([C@]([C@@]([C@@](COC(=O)C)(O2)[H])(OC(C)=O)[H])(OC(=O)C)[H])COC(=O)C)(O1)[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])[H])(\C=C\C1=CC=CC=C1)=O