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[(2R,3S,4R,5S,6R)-2-(Acetyloxymethyl)-4,5-dihydroxy-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-3-yl] hexanoate, 5tms

View entire compound with spectra: 1 NMR

[(2R,3S,4R,5S,6R)-2-(Acetyloxymethyl)-4,5-dihydroxy-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-3-yl] hexanoate, 5tms
SpectraBase Compound ID KVeKJZaBOh5
InChI InChI=1S/C33H72O11Si5/c1-18-19-20-21-29(35)40-30-28(23-36-25(2)34)39-33(32(44-49(15,16)17)31(30)43-48(12,13)14)37-22-26(41-46(6,7)8)27(42-47(9,10)11)24-38-45(3,4)5/h26-28,30-33H,18-24H2,1-17H3/t26-,27+,28+,30+,31-,32-,33+/m0/s1
InChIKey INEIGOSOLOKNJK-ZNFTYLGOSA-N
Mol Weight 785.4 g/mol
Molecular Formula C33H72O11Si5
Exact Mass 784.392096 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Flom9yzEWi
Name [(2R,3S,4R,5S,6R)-2-(Acetyloxymethyl)-4,5-dihydroxy-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-3-yl] hexanoate, 5tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 784.392095802 u
Formula C33H72O11Si5
InChI InChI=1S/C33H72O11Si5/c1-18-19-20-21-29(35)40-30-28(23-36-25(2)34)39-33(32(44-49(15,16)17)31(30)43-48(12,13)14)37-22-26(41-46(6,7)8)27(42-47(9,10)11)24-38-45(3,4)5/h26-28,30-33H,18-24H2,1-17H3/t26-,27+,28+,30+,31-,32-,33+/m0/s1
InChIKey INEIGOSOLOKNJK-ZNFTYLGOSA-N
Molecular Weight 785.353 g/mol
SMILES [C@@]1([C@]([C@@]([C@@]([C@@](O1)(OC[C@@]([C@@](CO[Si](C)(C)C)(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(OC(=O)CCCCC)[H])(COC(C)=O)[H]