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Peracetyl-glucosyl-decaloside
SpectraBase Compound ID 2NzKdO2yo2l
InChI InChI=1S/C39H50O23/c1-16(40)49-14-28-31(54-19(4)43)33(56-21(6)45)35(58-23(8)47)38(60-28)52-13-25-12-51-37(26-10-11-27(30(25)26)53-18(3)42)62-39-36(59-24(9)48)34(57-22(7)46)32(55-20(5)44)29(61-39)15-50-17(2)41/h10-12,26-39H,13-15H2,1-9H3/t26?,27?,28-,29-,30?,31-,32-,33+,34+,35-,36-,37?,38?,39?/m0/s1
InChIKey MPIKLSMYIRZMHP-XXCCROFFSA-N
Mol Weight 886.8 g/mol
Molecular Formula C39H50O23
Exact Mass 886.274288 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HhsvqYujKAP
Name Peracetyl-glucosyl-decaloside
CAS Registry Number 78808-78-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C39H50O23
InChI InChI=1S/C39H50O23/c1-16(40)49-14-28-31(54-19(4)43)33(56-21(6)45)35(58-23(8)47)38(60-28)52-13-25-12-51-37(26-10-11-27(30(25)26)53-18(3)42)62-39-36(59-24(9)48)34(57-22(7)46)32(55-20(5)44)29(61-39)15-50-17(2)41/h10-12,26-39H,13-15H2,1-9H3/t26?,27?,28-,29-,30?,31-,32-,33+,34+,35-,36-,37?,38?,39?/m0/s1
InChIKey MPIKLSMYIRZMHP-XXCCROFFSA-N
Literature Reference S. Jensen, C. Mikkelsen, Phytochem. 20, 71 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3