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(Z)-3-Phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-2-enoic acid, 5tms

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(Z)-3-Phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-2-enoic acid, 5tms
SpectraBase Compound ID CR8LaWtZcQY
InChI InChI=1S/C30H58O8Si5/c1-39(2,3)32-22-25-26(35-40(4,5)6)27(36-41(7,8)9)28(37-42(10,11)12)30(34-25)33-24(29(31)38-43(13,14)15)21-23-19-17-16-18-20-23/h16-21,25-28,30H,22H2,1-15H3/b24-21-/t25-,26-,27+,28-,30-/m1/s1
InChIKey WJBVEJDVSBBZFM-UNYAVOPESA-N
Mol Weight 687.2 g/mol
Molecular Formula C30H58O8Si5
Exact Mass 686.297801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5K8y6lDi3mi
Name (Z)-3-Phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-2-enoic acid, 5tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 686.297801495 u
Formula C30H58O8Si5
InChI InChI=1S/C30H58O8Si5/c1-39(2,3)32-22-25-26(35-40(4,5)6)27(36-41(7,8)9)28(37-42(10,11)12)30(34-25)33-24(29(31)38-43(13,14)15)21-23-19-17-16-18-20-23/h16-21,25-28,30H,22H2,1-15H3/b24-21-/t25-,26-,27+,28-,30-/m1/s1
InChIKey WJBVEJDVSBBZFM-UNYAVOPESA-N
SMILES C1=CC=CC(=C1)\C=C\(C(O[Si](C)(C)C)=O)O[C@]1([C@@]([C@]([C@@]([C@](O1)(CO[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])[H]