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JUJUBOGENIN-3-O-ALPHA-L-ARABINOFURANOSYL-(1->2)-[2-O-TRANS-PARA-COUMAROYL-BETA-D-GLUCOPYRANOSYL-(1->3)]-ALPHA-L-ARABINOPYRANOSIDE
SpectraBase Compound ID FbHeclYgXPU
InChI InChI=1S/C55H80O19/c1-27(2)20-30-21-53(7,65)46-31-13-14-36-51(5)18-17-37(50(3,4)35(51)16-19-52(36,6)54(31)25-55(46,74-30)68-26-54)71-49-45(73-47-42(63)39(60)33(22-56)69-47)44(32(58)23-67-49)72-48-43(64)41(62)40(61)34(70-48)24-66-38(59)15-10-28-8-11-29(57)12-9-28/h8-12,15,20,30-37,39-49,56-58,60-65H,13-14,16-19,21-26H2,1-7H3/b15-10+/t30-,31?,32-,33-,34+,35?,36?,37-,39-,40+,41-,42+,43+,44-,45+,46?,47-,48-,49-,51-,52+,53-,54-,55-/m0/s1
InChIKey DADAICJXRDONLZ-PHBRCZPPSA-N
Mol Weight 1045.2 g/mol
Molecular Formula C55H80O19
Exact Mass 1044.52938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6yX32geMDpl
Name JUJUBOGENIN-3-O-ALPHA-L-ARABINOFURANOSYL-(1->2)-[2-O-TRANS-PARA-COUMAROYL-BETA-D-GLUCOPYRANOSYL-(1->3)]-ALPHA-L-ARABINOPYRANOSIDE
Compound Number 2-TRANS
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C55H80O19
InChI InChI=1S/C55H80O19/c1-27(2)20-30-21-53(7,65)46-31-13-14-36-51(5)18-17-37(50(3,4)35(51)16-19-52(36,6)54(31)25-55(46,74-30)68-26-54)71-49-45(73-47-42(63)39(60)33(22-56)69-47)44(32(58)23-67-49)72-48-43(64)41(62)40(61)34(70-48)24-66-38(59)15-10-28-8-11-29(57)12-9-28/h8-12,15,20,30-37,39-49,56-58,60-65H,13-14,16-19,21-26H2,1-7H3/b15-10+/t30-,31?,32-,33-,34+,35?,36?,37-,39-,40+,41-,42+,43+,44-,45+,46?,47-,48-,49-,51-,52+,53-,54-,55-/m0/s1
InChIKey DADAICJXRDONLZ-PHBRCZPPSA-N
Literature Reference Author X.C.LI,H.N.ELSOHLY,A.C.NIMROD,A.M.CLARK
Literature Reference Citation J.NAT.PROD.,62,674(1999)
Literature Reference DOI 10.1021/np9803169
Molecular Weight 1045.229 g/mol
Solvent PYRIDINE-D5
Source File Reference UWCP7837