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(2R,3R,4S,5S,6R)-2-[3-(2-Hydroxyethyl)-4-(hydroxymethyl)hex-5-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, 6tms

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(2R,3R,4S,5S,6R)-2-[3-(2-Hydroxyethyl)-4-(hydroxymethyl)hex-5-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, 6tms
SpectraBase Compound ID ALvXvIt6RhS
InChI InChI=1S/C33H76O8Si6/c1-20-27(25-36-43(5,6)7)28(22-24-35-42(2,3)4)21-23-34-33-32(41-47(17,18)19)31(40-46(14,15)16)30(39-45(11,12)13)29(38-33)26-37-44(8,9)10/h20,27-33H,1,21-26H2,2-19H3/t27?,28?,29-,30-,31+,32-,33-/m1/s1
InChIKey HUATVGNKWQBTTM-VJNWOVRASA-N
Mol Weight 769.5 g/mol
Molecular Formula C33H76O8Si6
Exact Mass 768.415579 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1gFYkFfh3Tl
Name (2R,3R,4S,5S,6R)-2-[3-(2-Hydroxyethyl)-4-(hydroxymethyl)hex-5-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, 6tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 768.415578609 u
Formula C33H76O8Si6
InChI InChI=1S/C33H76O8Si6/c1-20-27(25-36-43(5,6)7)28(22-24-35-42(2,3)4)21-23-34-33-32(41-47(17,18)19)31(40-46(14,15)16)30(39-45(11,12)13)29(38-33)26-37-44(8,9)10/h20,27-33H,1,21-26H2,2-19H3/t27?,28?,29-,30-,31+,32-,33-/m1/s1
InChIKey HUATVGNKWQBTTM-VJNWOVRASA-N
Molecular Weight 769.473 g/mol
SMILES C(C(C(C=C)CO[Si](C)(C)C)CCO[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])CO[Si](C)(C)C