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BETA-1,5-ANHYDRO-2,3,4,6-TETRA-O-BENZYL-1-C-(2'-PENTYL-3'-E-NONENYL)-D-GLUCITOL (ISOMER 1)
SpectraBase Compound ID GW4MNdcWrpP
InChI InChI=1S/C48H62O5/c1-3-5-7-8-14-24-39(23-13-6-4-2)33-44-46(50-35-41-27-17-10-18-28-41)48(52-37-43-31-21-12-22-32-43)47(51-36-42-29-19-11-20-30-42)45(53-44)38-49-34-40-25-15-9-16-26-40/h9-12,14-22,24-32,39,44-48H,3-8,13,23,33-38H2,1-2H3/b24-14+/t39?,44-,45+,46-,47+,48+/m1/s1
InChIKey PSQFYTCBBGAGGE-ORVVKSASSA-N
Mol Weight 719.0 g/mol
Molecular Formula C48H62O5
Exact Mass 718.459725 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2k13DYqIRnP
Name BETA-1,5-ANHYDRO-2,3,4,6-TETRA-O-BENZYL-1-C-(2'-PENTYL-3'-E-NONENYL)-D-GLUCITOL (ISOMER 1)
Comments 17
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C48H62O5
InChI InChI=1S/C48H62O5/c1-3-5-7-8-14-24-39(23-13-6-4-2)33-44-46(50-35-41-27-17-10-18-28-41)48(52-37-43-31-21-12-22-32-43)47(51-36-42-29-19-11-20-30-42)45(53-44)38-49-34-40-25-15-9-16-26-40/h9-12,14-22,24-32,39,44-48H,3-8,13,23,33-38H2,1-2H3/b24-14+/t39?,44-,45+,46-,47+,48+/m1/s1
InChIKey PSQFYTCBBGAGGE-ORVVKSASSA-N
Instrument Name Bruker AM-300
Literature Reference G.A.TOLSTIKOV, N.A.PROKHOROVA, A.YU.SPIVAK, A.A.FATYKHOV (1992)Metalloorganich.Khim.(Russ. Lang.): v.5, N5, 1017-1023.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d