John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=10f2z46WrM3 SpectraBase Spectrum ID=5bjnKsFp3Dq

(accessed ).
VERBESINOSIDE_F;21-E-CINNAMOYL-15-ALPHA,27-CYCLOOLEAN-12-EN-3-BETA,21-BETA-DIOL-28-OIC_ACID_3-O-BETA-XYLOPYRANOSYL-(1->4)-BETA-D-
SpectraBase Compound ID 10f2z46WrM3
InChI InChI=1S/C55H78O18/c1-50(2)22-30-29-13-14-35-52(5)18-17-36(72-48-45(42(62)40(60)32(24-56)69-48)73-47-44(64)41(61)33(26-68-47)70-46-43(63)39(59)31(57)25-67-46)51(3,4)34(52)16-19-53(35,6)55(29)21-28(55)20-54(30,49(65)66)23-37(50)71-38(58)15-12-27-10-8-7-9-11-27/h7-13,15,28,30-37,39-48,56-57,59-64H,14,16-26H2,1-6H3,(H,65,66)/b15-12+/t28-,30+,31-,32-,33-,34+,35-,36+,37+,39+,40-,41+,42+,43-,44-,45-,46+,47+,48+,52+,53-,54-,55-/m1/s1
InChIKey NDCPZFPNVULXLE-XQDROYBISA-N
Mol Weight 1027.2 g/mol
Molecular Formula C55H78O18
Exact Mass 1026.518816 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5bjnKsFp3Dq
Name VERBESINOSIDE_F;21-E-CINNAMOYL-15-ALPHA,27-CYCLOOLEAN-12-EN-3-BETA,21-BETA-DIOL-28-OIC_ACID_3-O-BETA-XYLOPYRANOSYL-(1->4)-BETA-D-
Compound Number 6
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C55H78O18
InChI InChI=1S/C55H78O18/c1-50(2)22-30-29-13-14-35-52(5)18-17-36(72-48-45(42(62)40(60)32(24-56)69-48)73-47-44(64)41(61)33(26-68-47)70-46-43(63)39(59)31(57)25-67-46)51(3,4)34(52)16-19-53(35,6)55(29)21-28(55)20-54(30,49(65)66)23-37(50)71-38(58)15-12-27-10-8-7-9-11-27/h7-13,15,28,30-37,39-48,56-57,59-64H,14,16-26H2,1-6H3,(H,65,66)/b15-12+/t28-,30+,31-,32-,33-,34+,35-,36+,37+,39+,40-,41+,42+,43-,44-,45-,46+,47+,48+,52+,53-,54-,55-/m1/s1
InChIKey NDCPZFPNVULXLE-XQDROYBISA-N
Literature Reference Author W.H.XU,M.R.JACOB,A.K.AGARWAL,A.M.CLARK,Z.S.LIANG,X.C.LI
Literature Reference Citation J.NAT.PROD.,72,1022(2009)
Literature Reference DOI 10.1021/np900180y
Molecular Weight 1027.214 g/mol
Sample ID 32705
Solvent C5D5N
SpectraBase Batch ID 1zisIO09NGM