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Methyl (1S)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4A,5,6,7A-tetrahydro-1H-cyclopenta[C]pyran-4-carboxylate, 5tms derivative

View entire compound with spectra: 1 NMR

Methyl (1S)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4A,5,6,7A-tetrahydro-1H-cyclopenta[C]pyran-4-carboxylate, 5tms derivative
SpectraBase Compound ID 98ARCeAqUBK
InChI InChI=1S/C32H66O10Si5/c1-32(42-47(15,16)17)19-18-22-23(29(33)34-2)20-35-30(25(22)32)38-31-28(41-46(12,13)14)27(40-45(9,10)11)26(39-44(6,7)8)24(37-31)21-36-43(3,4)5/h20,22,24-28,30-31H,18-19,21H2,1-17H3/t22?,24-,25?,26-,27+,28-,30+,31+,32?/m1/s1
InChIKey DBQFRVUVQGCNGQ-WRPBWLQKSA-N
Mol Weight 751.3 g/mol
Molecular Formula C32H66O10Si5
Exact Mass 750.350231 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HzzBI0sDZFm
Name Methyl (1S)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4A,5,6,7A-tetrahydro-1H-cyclopenta[C]pyran-4-carboxylate, 5tms derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 750.350230990 u
Formula C32H66O10Si5
InChI InChI=1S/C32H66O10Si5/c1-32(42-47(15,16)17)19-18-22-23(29(33)34-2)20-35-30(25(22)32)38-31-28(41-46(12,13)14)27(40-45(9,10)11)26(39-44(6,7)8)24(37-31)21-36-43(3,4)5/h20,22,24-28,30-31H,18-19,21H2,1-17H3/t22?,24-,25?,26-,27+,28-,30+,31+,32?/m1/s1
InChIKey DBQFRVUVQGCNGQ-WRPBWLQKSA-N
Molecular Weight 751.295 g/mol
SMILES [C@]1(C2C(C(=CO1)C(=O)OC)CCC2(C)O[Si](C)(C)C)(O[C@]1([C@](O[Si](C)(C)C)([C@@](O[Si](C)(C)C)([C@](O[Si](C)(C)C)([C@](O1)(CO[Si](C)(C)C)[H])[H])[H])[H])[H])[H]