For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1-Hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalene-2-carboxylic acid, 6tms

View entire compound with spectra: 1 NMR

1-Hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalene-2-carboxylic acid, 6tms
SpectraBase Compound ID 1DMmobT7ccO
InChI InChI=1S/C35H66O9Si6/c1-45(2,3)37-24-29-31(41-47(7,8)9)32(42-48(10,11)12)33(43-49(13,14)15)35(39-29)38-28-23-27(34(36)44-50(16,17)18)30(40-46(4,5)6)26-22-20-19-21-25(26)28/h19-23,29,31-33,35H,24H2,1-18H3/t29-,31-,32+,33-,35-/m1/s1
InChIKey CRBZQZOWUYRSKL-DCLAJFSGSA-N
Mol Weight 799.4 g/mol
Molecular Formula C35H66O9Si6
Exact Mass 798.332243 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5Bs7CNqleqp
Name 1-Hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalene-2-carboxylic acid, 6tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 798.332242906 u
Formula C35H66O9Si6
InChI InChI=1S/C35H66O9Si6/c1-45(2,3)37-24-29-31(41-47(7,8)9)32(42-48(10,11)12)33(43-49(13,14)15)35(39-29)38-28-23-27(34(36)44-50(16,17)18)30(40-46(4,5)6)26-22-20-19-21-25(26)28/h19-23,29,31-33,35H,24H2,1-18H3/t29-,31-,32+,33-,35-/m1/s1
InChIKey CRBZQZOWUYRSKL-DCLAJFSGSA-N
Molecular Weight 799.414 g/mol
SMILES [C@@]1([C@]([C@@]([C@]([C@@](O1)(OC=1C2=CC=CC=C2C(=C(C(O[Si](C)(C)C)=O)C1)O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(CO[Si](C)(C)C)[H]