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BETA-1,5-ANHYDRO-2,3,4,6-TETRA-O-BENZYL-1-C-(2'-ISOBUTYL-6'-METHYL-3'-Z-HEPTENYL)-D-GLUCITOL (ISOMER MIXTURE)
SpectraBase Compound ID GvCPkHBI6Tx
InChI InChI=1S/C47H60O5/c1-36(2)18-17-27-38(29-28-37(3)4)30-43-45(49-32-40-21-11-6-12-22-40)47(51-34-42-25-15-8-16-26-42)46(50-33-41-23-13-7-14-24-41)44(52-43)35-48-31-39-19-9-5-10-20-39/h5-17,19-27,36-38,43-47H,18,28-35H2,1-4H3/b27-17-/t38?,43-,44+,45-,46+,47+/m1/s1
InChIKey IDYXQPHNZMLKAQ-QNHQYGDYSA-N
Mol Weight 705.0 g/mol
Molecular Formula C47H60O5
Exact Mass 704.444075 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID PgGaU3ACWD
Name BETA-1,5-ANHYDRO-2,3,4,6-TETRA-O-BENZYL-1-C-(2'-ISOBUTYL-6'-METHYL-3'-Z-HEPTENYL)-D-GLUCITOL (ISOMER MIXTURE)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C47H60O5
InChI InChI=1S/C47H60O5/c1-36(2)18-17-27-38(29-28-37(3)4)30-43-45(49-32-40-21-11-6-12-22-40)47(51-34-42-25-15-8-16-26-42)46(50-33-41-23-13-7-14-24-41)44(52-43)35-48-31-39-19-9-5-10-20-39/h5-17,19-27,36-38,43-47H,18,28-35H2,1-4H3/b27-17-/t38?,43-,44+,45-,46+,47+/m1/s1
InChIKey IDYXQPHNZMLKAQ-QNHQYGDYSA-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