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17-O-ACETYL-3-CYANO-3-O-(2',3',4',6')-TETRA-O-ACETYL-ALPHA-D-GLUCOPYRANOSYL)-ANDROST-4-ENE-17-BETA-OL
SpectraBase Compound ID EhfBV4gnzR4
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(48-28)49-36(18-37)15-14-34(6)24(16-36)8-9-25-26-10-11-29(44-20(2)39)35(26,7)13-12-27(25)34/h16,25-33H,8-15,17H2,1-7H3/t25-,26-,27-,28+,29-,30+,31-,32+,33+,34-,35-,36+/m0/s1
InChIKey FKXNIJJKRVAMIG-YQBIUQGZSA-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

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SpectraBase Spectrum ID ElaytfYudSQ
Name 17-O-ACETYL-3-CYANO-3-O-(2',3',4',6')-TETRA-O-ACETYL-ALPHA-D-GLUCOPYRANOSYL)-ANDROST-4-ENE-17-BETA-OL
Compound Number 11
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(48-28)49-36(18-37)15-14-34(6)24(16-36)8-9-25-26-10-11-29(44-20(2)39)35(26,7)13-12-27(25)34/h16,25-33H,8-15,17H2,1-7H3/t25-,26-,27-,28+,29-,30+,31-,32+,33+,34-,35-,36+/m0/s1
InChIKey FKXNIJJKRVAMIG-YQBIUQGZSA-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 UWGE2926