John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=KQAg8TdvrHL SpectraBase Spectrum ID=1kfHtLwNyLa

(accessed ).
(25S)-PRATIOSIDE-D1;(25S)-SPIROSTAN-5-EN-12-ONE-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSIDE
SpectraBase Compound ID KQAg8TdvrHL
InChI InChI=1S/C45H70O19/c1-18-7-10-45(57-17-18)19(2)30-25(64-45)12-24-22-6-5-20-11-21(8-9-43(20,3)23(22)13-29(49)44(24,30)4)58-40-37(56)35(54)38(28(16-48)61-40)62-42-39(34(53)32(51)27(15-47)60-42)63-41-36(55)33(52)31(50)26(14-46)59-41/h5,18-19,21-28,30-42,46-48,50-56H,6-17H2,1-4H3/t18-,19-,21-,22+,23-,24-,25-,26+,27+,28+,30-,31+,32+,33-,34-,35+,36+,37+,38-,39+,40+,41-,42-,43-,44+,45+/m0/s1
InChIKey NEOHHRASNMHKJM-ANLDJNJISA-N
Mol Weight 915.0 g/mol
Molecular Formula C45H70O19
Exact Mass 914.451131 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1kfHtLwNyLa
Name (25S)-PRATIOSIDE-D1;(25S)-SPIROSTAN-5-EN-12-ONE-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSIDE
Compound Number 2B
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H70O19
InChI InChI=1S/C45H70O19/c1-18-7-10-45(57-17-18)19(2)30-25(64-45)12-24-22-6-5-20-11-21(8-9-43(20,3)23(22)13-29(49)44(24,30)4)58-40-37(56)35(54)38(28(16-48)61-40)62-42-39(34(53)32(51)27(15-47)60-42)63-41-36(55)33(52)31(50)26(14-46)59-41/h5,18-19,21-28,30-42,46-48,50-56H,6-17H2,1-4H3/t18-,19-,21-,22+,23-,24-,25-,26+,27+,28+,30-,31+,32+,33-,34-,35+,36+,37+,38-,39+,40+,41-,42-,43-,44+,45+/m0/s1
InChIKey NEOHHRASNMHKJM-ANLDJNJISA-N
Literature Reference Author H.S.YU,J.ZHANG,L.P.KANG,L.F.HAN,P.ZOU,Y.ZHAO,C.Q.XIONG,D.W.T AN,X.B.SONG,K.YU,B.P
Literature Reference Citation CHEM.PHARM.BULL.,57,1(2009)
Literature Reference DOI 10.1248/cpb.57.1011
Molecular Weight 915.039 g/mol
Sample ID 1903
Solvent C5D5N
SpectraBase Batch ID CFkwMpctaHK