3-[4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid, 5tms derivative

SpectraBase Compound ID	2qgGaKL1Ert
InChI	InChI=1S/C30H60O8Si5/c1-39(2,3)32-22-25-27(36-41(7,8)9)28(37-42(10,11)12)29(38-43(13,14)15)30(34-25)33-24-19-16-23(17-20-24)18-21-26(31)35-40(4,5)6/h16-17,19-20,25,27-30H,18,21-22H2,1-15H3/t25-,27-,28+,29-,30-/m1/s1
InChIKey	VOBXCIDWBLWJIQ-LXRLAABLSA-N Google Search
Mol Weight	689.2 g/mol
Molecular Formula	C30H60O8Si5
Exact Mass	688.313452 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	GyRhGhTweNB
Name	3-[4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid, 5tms derivative
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	688.313451559 u
Formula	C30H60O8Si5
InChI	InChI=1S/C30H60O8Si5/c1-39(2,3)32-22-25-27(36-41(7,8)9)28(37-42(10,11)12)29(38-43(13,14)15)30(34-25)33-24-19-16-23(17-20-24)18-21-26(31)35-40(4,5)6/h16-17,19-20,25,27-30H,18,21-22H2,1-15H3/t25-,27-,28+,29-,30-/m1/s1
InChIKey	VOBXCIDWBLWJIQ-LXRLAABLSA-N
SMILES	C1=C(C=CC(=C1)CCC(O[Si](C)(C)C)=O)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]