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Methyl (+-)-2,4,6,8,10-pentadeoxy-4,6,8,10-tetramethyl-3-o-methyl-7,9-o-(1-methylethylidene)-11-o-(phenylmethyl)-1-thio-D-manno-.beta.-L-galacto-undecopyranoside

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Methyl (+-)-2,4,6,8,10-pentadeoxy-4,6,8,10-tetramethyl-3-o-methyl-7,9-o-(1-methylethylidene)-11-o-(phenylmethyl)-1-thio-D-manno-.beta.-L-galacto-undecopyranoside
SpectraBase Compound ID Kl9nhPEvj45
InChI InChI=1S/C27H44O5S/c1-17(15-29-16-21-12-10-9-11-13-21)24-19(3)26(32-27(5,6)31-24)20(4)25-18(2)22(28-7)14-23(30-25)33-8/h9-13,17-20,22-26H,14-16H2,1-8H3
InChIKey IMILKTKJBXQIKP-UHFFFAOYSA-N
Mol Weight 480.7 g/mol
Molecular Formula C27H44O5S
Exact Mass 480.290946 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9mP7xxr0Sh4
Name Methyl (+-)-2,4,6,8,10-pentadeoxy-4,6,8,10-tetramethyl-3-o-methyl-7,9-o-(1-methylethylidene)-11-o-(phenylmethyl)-1-thio-D-manno-.beta.-L-galacto-undecopyranoside
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 480.290945686 u
Formula C27H44O5S
InChI InChI=1S/C27H44O5S/c1-17(15-29-16-21-12-10-9-11-13-21)24-19(3)26(32-27(5,6)31-24)20(4)25-18(2)22(28-7)14-23(30-25)33-8/h9-13,17-20,22-26H,14-16H2,1-8H3
InChIKey IMILKTKJBXQIKP-UHFFFAOYSA-N
Molecular Weight 480.704 g/mol
SMILES C1(C(C(C(COCC=2C=CC=CC2)C)OC(O1)(C)C)C)C(C1C(C(OC)CC(O1)SC)C)C