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.beta.-D-Glucopyranoside, (3E)-7-hydroxy-3,7-dimethyl-3-octen-1-yl 6-o-(6-deoxy-.alpha.-L-mannopyranosyl)-, 6ac dervative test

View entire compound with spectra: 1 NMR

.beta.-D-Glucopyranoside, (3E)-7-hydroxy-3,7-dimethyl-3-octen-1-yl 6-o-(6-deoxy-.alpha.-L-mannopyranosyl)-, 6ac dervative test
SpectraBase Compound ID IYPnpjA1Itt
InChI InChI=1S/C34H52O17/c1-17(12-11-14-34(9,10)41)13-15-42-32-31(50-24(8)40)29(48-22(6)38)27(46-20(4)36)25(51-32)16-43-33-30(49-23(7)39)28(47-21(5)37)26(18(2)44-33)45-19(3)35/h12,18,25-33,41H,11,13-16H2,1-10H3/b17-12+/t18-,25+,26-,27+,28+,29-,30+,31+,32+,33+/m0/s1
InChIKey SVGUKIHWPVCIBU-AMMFUPPZSA-N
Mol Weight 732.8 g/mol
Molecular Formula C34H52O17
Exact Mass 732.32045 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hj841YSLUGn
Name .beta.-D-Glucopyranoside, (3E)-7-hydroxy-3,7-dimethyl-3-octen-1-yl 6-o-(6-deoxy-.alpha.-L-mannopyranosyl)-, 6ac dervative test
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 732.320450197 u
Formula C34H52O17
InChI InChI=1S/C34H52O17/c1-17(12-11-14-34(9,10)41)13-15-42-32-31(50-24(8)40)29(48-22(6)38)27(46-20(4)36)25(51-32)16-43-33-30(49-23(7)39)28(47-21(5)37)26(18(2)44-33)45-19(3)35/h12,18,25-33,41H,11,13-16H2,1-10H3/b17-12+/t18-,25+,26-,27+,28+,29-,30+,31+,32+,33+/m0/s1
InChIKey SVGUKIHWPVCIBU-AMMFUPPZSA-N
Molecular Weight 732.773 g/mol
SMILES [C@@]1(OCC\C(=C\CCC(C)(C)O)C)([C@](OC(=O)C)([C@@](OC(=O)C)([C@](OC(=O)C)([C@](O1)(CO[C@]1([C@](OC(=O)C)([C@](OC(=O)C)([C@@](OC(=O)C)([C@@](O1)(C)[H])[H])[H])[H])[H])[H])[H])[H])[H])[H]