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(2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]oxane-3,4,5-triol, 4tms
SpectraBase Compound ID 3Bpo2qm4qDR
InChI InChI=1S/C28H54O7Si4/c1-15-16-21-17-18-22(23(19-21)29-2)31-28-27(35-39(12,13)14)26(34-38(9,10)11)25(33-37(6,7)8)24(32-28)20-30-36(3,4)5/h15-19,24-28H,20H2,1-14H3/b16-15+/t24-,25-,26+,27-,28-/m1/s1
InChIKey JVEFXGABZBABJY-RKRGFERZSA-N
Mol Weight 615.1 g/mol
Molecular Formula C28H54O7Si4
Exact Mass 614.29466 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7XTJ2Oosdoz
Name (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]oxane-3,4,5-triol, 4tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 614.294660212 u
Formula C28H54O7Si4
InChI InChI=1S/C28H54O7Si4/c1-15-16-21-17-18-22(23(19-21)29-2)31-28-27(35-39(12,13)14)26(34-38(9,10)11)25(33-37(6,7)8)24(32-28)20-30-36(3,4)5/h15-19,24-28H,20H2,1-14H3/b16-15+/t24-,25-,26+,27-,28-/m1/s1
InChIKey JVEFXGABZBABJY-RKRGFERZSA-N
Molecular Weight 615.073 g/mol
SMILES C1(=C(C=CC(=C1)\C=C\C)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])OC