For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
17-O-ACETYL-5-ALPHA-CYANO-3-O-(2',3',4',6'-TETRA-O-ACETYL-ALPHA-D-GLUCOPYRANOSYL)-ANDROST-2-ENE-17-BETA-OL
SpectraBase Compound ID AvYhBIyq8iP
InChI InChI=1S/C36H49NO12/c1-19(38)43-17-28-30(45-21(3)40)31(46-22(4)41)32(47-23(5)42)33(49-28)48-24-10-14-35(7)27-12-13-34(6)26(8-9-29(34)44-20(2)39)25(27)11-15-36(35,16-24)18-37/h10,25-33H,8-9,11-17H2,1-7H3/t25-,26-,27-,28+,29-,30+,31-,32+,33-,34-,35+,36-/m0/s1
InChIKey SMZUSIRAQFDNPM-SKPYBWLESA-N
Mol Weight 687.8 g/mol
Molecular Formula C36H49NO12
Exact Mass 687.325476 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4X1ffYg3SIJ
Name 17-O-ACETYL-5-ALPHA-CYANO-3-O-(2',3',4',6'-TETRA-O-ACETYL-ALPHA-D-GLUCOPYRANOSYL)-ANDROST-2-ENE-17-BETA-OL
Compound Number 26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H49NO12
InChI InChI=1S/C36H49NO12/c1-19(38)43-17-28-30(45-21(3)40)31(46-22(4)41)32(47-23(5)42)33(49-28)48-24-10-14-35(7)27-12-13-34(6)26(8-9-29(34)44-20(2)39)25(27)11-15-36(35,16-24)18-37/h10,25-33H,8-9,11-17H2,1-7H3/t25-,26-,27-,28+,29-,30+,31-,32+,33-,34-,35+,36-/m0/s1
InChIKey SMZUSIRAQFDNPM-SKPYBWLESA-N
Literature Reference Author A.TOBARI,T.SHIMIZU,H.MIYAMAE,A.NAGASAWA,M.KAWASE,S.SAITO
Literature Reference Citation CARBOHYDR.RES.,310,239(1998)
Literature Reference DOI 10.1016/S0008-6215(98)00192-X
Molecular Weight 687.785 g/mol
Solvent CDCl3
Source File Reference UWGE2932