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#3;15,20-EPOXY-3-BETA-HYDROXY-14,15-SECO-PREGNA-5,15(16),17(20)-TRIEN-2,14-DIONE-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-ALPHA-L-DIGINO
SpectraBase Compound ID KAUPtXYRwyg
InChI InChI=1S/C48H72O18/c1-22-28(13-15-58-22)47(5)14-12-29-27(45(47)54)11-10-26-16-31(30(50)20-48(26,29)6)62-36-17-32(55-7)42(23(2)59-36)64-37-18-33(56-8)43(24(3)60-37)65-38-19-34(57-9)44(25(4)61-38)66-46-41(53)40(52)39(51)35(21-49)63-46/h10,13,15,23-25,27,29,31-44,46,49,51-53H,11-12,14,16-21H2,1-9H3/t23-,24-,25-,27?,29?,31+,32+,33-,34+,35+,36+,37-,38+,39+,40-,41+,42-,43+,44-,46-,47?,48-/m0/s1
InChIKey VZLBVKGFRIITIA-NITBWSGPSA-N
Mol Weight 937.1 g/mol
Molecular Formula C48H72O18
Exact Mass 936.471865 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3PNr7nvRpOA
Name #3;15,20-EPOXY-3-BETA-HYDROXY-14,15-SECO-PREGNA-5,15(16),17(20)-TRIEN-2,14-DIONE-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-ALPHA-L-DIGINO
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H72O18
InChI InChI=1S/C48H72O18/c1-22-28(13-15-58-22)47(5)14-12-29-27(45(47)54)11-10-26-16-31(30(50)20-48(26,29)6)62-36-17-32(55-7)42(23(2)59-36)64-37-18-33(56-8)43(24(3)60-37)65-38-19-34(57-9)44(25(4)61-38)66-46-41(53)40(52)39(51)35(21-49)63-46/h10,13,15,23-25,27,29,31-44,46,49,51-53H,11-12,14,16-21H2,1-9H3/t23-,24-,25-,27?,29?,31+,32+,33-,34+,35+,36+,37-,38+,39+,40-,41+,42-,43+,44-,46-,47?,48-/m0/s1
InChIKey VZLBVKGFRIITIA-NITBWSGPSA-N
Literature Reference Author Z.X.ZHANG,J.ZHOU,K.HAYASHI,K.KANEKO
Literature Reference Citation PHYTOCHEM.,27,2935(1988)
Literature Reference DOI 10.1016/0031-9422(88)80692-7
Molecular Weight 937.089 g/mol
Solvent PYRIDINE-D5
Source File Reference UWBK1212