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#5;STEMONATUBEROSIDE-A;(REL)-(3S*,3BS*,5S*,10AR*,11R*,11AS*)-11-ETHYL-3B-HYDROXY-3-METHYL-5-[(2S*,4S*)-4-METHYL-5-OXO-TETRAHYDROFURAN-2-YL]-DECAHYDRO-6,10A-MET
SpectraBase Compound ID F5DHHZqn0nz
InChI InChI=1S/C22H31NO6/c1-4-13-17-16(12(3)19(25)29-17)22(27)10-14(15-9-11(2)18(24)28-15)23-8-6-5-7-21(13,22)20(23)26/h11-17,27H,4-10H2,1-3H3/t11-,12-,13-,14-,15-,16-,17-,21-,22-/m0/s1
InChIKey YOBIPOVYJKVGIS-ZRKPCFGQSA-N
Mol Weight 405.49 g/mol
Molecular Formula C22H31NO6
Exact Mass 405.215138 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Va1MLxIpr9
Name #5;STEMONATUBEROSIDE-A;(REL)-(3S*,3BS*,5S*,10AR*,11R*,11AS*)-11-ETHYL-3B-HYDROXY-3-METHYL-5-[(2S*,4S*)-4-METHYL-5-OXO-TETRAHYDROFURAN-2-YL]-DECAHYDRO-6,10A-MET
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H31NO6
InChI InChI=1S/C22H31NO6/c1-4-13-17-16(12(3)19(25)29-17)22(27)10-14(15-9-11(2)18(24)28-15)23-8-6-5-7-21(13,22)20(23)26/h11-17,27H,4-10H2,1-3H3/t11-,12-,13-,14-,15-,16-,17-,21-,22-/m0/s1
InChIKey YOBIPOVYJKVGIS-ZRKPCFGQSA-N
Literature Reference Author Y.YUE,A.J.DENG,Z.H.LI,A.L.LIU,L.MA,Z.H.ZHANG,X.L.WANG,G.H.DU ,H.L.QIN
Literature Reference Citation MAGN.RES.CHEM.,52,719(2014)
Literature Reference DOI 10.1002/mrc.4099
Molecular Weight 405.491 g/mol
Solvent DMSO-D6
Source File Reference UWBT15806