John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=13tTICSNHW6 SpectraBase Spectrum ID=BHGgjPkVeV1

(accessed ).
#1;CARATUBERISIDE-C;12-O-BENZOYL-20-O-ACETYL-3-BETA,12-BETA,14-BETA,20-BETA-TETRAHYDROXY-20S-PREGN-5-ENE-6-DEOXY-3-O-METHYL-BETA-D-ALLOPYRANOSYL-(1->4)-BETA-D-
SpectraBase Compound ID 13tTICSNHW6
InChI InChI=1S/C51H76O16/c1-26(60-30(5)52)34-19-21-51(56)35-17-16-32-22-33(18-20-49(32,6)36(35)23-39(50(34,51)7)65-47(55)31-14-12-11-13-15-31)64-40-24-37(57-8)44(28(3)61-40)66-41-25-38(58-9)45(29(4)62-41)67-48-43(54)46(59-10)42(53)27(2)63-48/h11-16,26-29,33-46,48,53-54,56H,17-25H2,1-10H3/t26-,27+,28+,29-,33-,34+,35+,36-,37-,38+,39+,40-,41+,42+,43+,44+,45-,46+,48-,49-,50-,51-/m0/s1
InChIKey AVAZXIOSUORKOF-RRSIJLBZSA-N
Mol Weight 945.2 g/mol
Molecular Formula C51H76O16
Exact Mass 944.513337 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BHGgjPkVeV1
Name #1;CARATUBERISIDE-C;12-O-BENZOYL-20-O-ACETYL-3-BETA,12-BETA,14-BETA,20-BETA-TETRAHYDROXY-20S-PREGN-5-ENE-6-DEOXY-3-O-METHYL-BETA-D-ALLOPYRANOSYL-(1->4)-BETA-D-
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H76O16
InChI InChI=1S/C51H76O16/c1-26(60-30(5)52)34-19-21-51(56)35-17-16-32-22-33(18-20-49(32,6)36(35)23-39(50(34,51)7)65-47(55)31-14-12-11-13-15-31)64-40-24-37(57-8)44(28(3)61-40)66-41-25-38(58-9)45(29(4)62-41)67-48-43(54)46(59-10)42(53)27(2)63-48/h11-16,26-29,33-46,48,53-54,56H,17-25H2,1-10H3/t26-,27+,28+,29-,33-,34+,35+,36-,37-,38+,39+,40-,41+,42+,43+,44+,45-,46+,48-,49-,50-,51-/m0/s1
InChIKey AVAZXIOSUORKOF-RRSIJLBZSA-N
Literature Reference Author E.ABDEL-SATTAR,F.M.HARRAZ,S.M.A.AL-ANSARI,S.EL-MEKKAWY,C.ICH INO,H.KIYOHARA,A.ISH
Literature Reference Citation PHYTOCHEM.,69,2180(2008)
Literature Reference DOI 10.1016/j.phytochem.2008.05.017
Molecular Weight 945.155 g/mol
Sample ID 63193
Solvent CD3OD
SpectraBase Batch ID B1T1CIeiKFu