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3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL-21-BETA,22-ALPHA-DI-O-ANGELOYL-BARRINGTOGENOL-C
SpectraBase Compound ID GYXXtjQWRrA
InChI InChI=1S/C58H90O22/c1-13-25(3)48(71)79-45-46(80-49(72)26(4)14-2)58(24-60)29(21-53(45,6)7)28-15-16-32-55(10)19-18-34(54(8,9)31(55)17-20-56(32,11)57(28,12)22-33(58)61)75-52-44(78-51-40(67)38(65)36(63)30(23-59)74-51)42(41(68)43(77-52)47(69)70)76-50-39(66)37(64)35(62)27(5)73-50/h13-15,27,29-46,50-52,59-68H,16-24H2,1-12H3,(H,69,70)/b25-13-,26-14-/t27-,29-,30-,31-,32+,33+,34-,35-,36+,37+,38+,39+,40-,41-,42-,43-,44+,45-,46-,50-,51+,52+,55-,56+,57+,58-/m0/s1
InChIKey FESOGIOEJQIMMJ-CXNXLKJJSA-N
Mol Weight 1139.3 g/mol
Molecular Formula C58H90O22
Exact Mass 1138.592375 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7sIPSpUoMrs
Name 3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL-21-BETA,22-ALPHA-DI-O-ANGELOYL-BARRINGTOGENOL-C
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H90O22
InChI InChI=1S/C58H90O22/c1-13-25(3)48(71)79-45-46(80-49(72)26(4)14-2)58(24-60)29(21-53(45,6)7)28-15-16-32-55(10)19-18-34(54(8,9)31(55)17-20-56(32,11)57(28,12)22-33(58)61)75-52-44(78-51-40(67)38(65)36(63)30(23-59)74-51)42(41(68)43(77-52)47(69)70)76-50-39(66)37(64)35(62)27(5)73-50/h13-15,27,29-46,50-52,59-68H,16-24H2,1-12H3,(H,69,70)/b25-13-,26-14-/t27-,29-,30-,31-,32+,33+,34-,35-,36+,37+,38+,39+,40-,41-,42-,43-,44+,45-,46-,50-,51+,52+,55-,56+,57+,58-/m0/s1
InChIKey FESOGIOEJQIMMJ-CXNXLKJJSA-N
Literature Reference Author L.VOUTQUENNE,P.GUINOT,C.FROISSARD,O.THOISON,M.LITAUDON,C.LAV AUD
Literature Reference Citation PHYTOCHEM.,66,825(2005)
Literature Reference DOI 10.1016/j.phytochem.2005.02.009
Molecular Weight 1139.339 g/mol
Solvent CD3OD
Source File Reference UWLU32546