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(3E,5E)-6-[4-Hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]hexa-3,5-dien-2-one, 5tms

View entire compound with spectra: 1 NMR

(3E,5E)-6-[4-Hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]hexa-3,5-dien-2-one, 5tms
SpectraBase Compound ID IH97oJM23AB
InChI InChI=1S/C33H62O8Si5/c1-25(34)19-17-18-20-26-21-22-27(38-43(5,6)7)28(23-26)36-33-32(41-46(14,15)16)31(40-45(11,12)13)30(39-44(8,9)10)29(37-33)24-35-42(2,3)4/h17-23,29-33H,24H2,1-16H3/b19-17+,20-18+/t29-,30-,31+,32-,33-/m1/s1
InChIKey JJUVWFGEKKMCMA-JCHSEJTGSA-N
Mol Weight 727.3 g/mol
Molecular Formula C33H62O8Si5
Exact Mass 726.329102 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8PJ81liVh6d
Name (3E,5E)-6-[4-Hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]hexa-3,5-dien-2-one, 5tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 726.329101623 u
Formula C33H62O8Si5
InChI InChI=1S/C33H62O8Si5/c1-25(34)19-17-18-20-26-21-22-27(38-43(5,6)7)28(23-26)36-33-32(41-46(14,15)16)31(40-45(11,12)13)30(39-44(8,9)10)29(37-33)24-35-42(2,3)4/h17-23,29-33H,24H2,1-16H3/b19-17+,20-18+/t29-,30-,31+,32-,33-/m1/s1
InChIKey JJUVWFGEKKMCMA-JCHSEJTGSA-N
Molecular Weight 727.276 g/mol
SMILES C1(=C(C=CC(=C1)\C=C\C=C\C(C)=O)O[Si](C)(C)C)O[C@@]1(O[C@@]([C@]([C@@]([C@]1(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(CO[Si](C)(C)C)[H])[H]