John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=DfZF72YaYeL SpectraBase Spectrum ID=2bgD1ySNwAM

(accessed ).
#3;CELOSIN-J;3-O-BETA-D-GLUCURONOPYRANOSYL-MEDICAGENIC-ACID-28-O-ALPHA-L-ARABINOPYRANOSYL-(1->3)-[BETA-D-XYLOPYRANOSYL-(1->4)]-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-B
SpectraBase Compound ID DfZF72YaYeL
InChI InChI=1S/C58H90O28/c1-21-30(62)34(66)43(84-49-39(71)41(82-47-37(69)32(64)27(61)20-78-47)40(22(2)80-49)81-46-36(68)31(63)26(60)19-77-46)50(79-21)86-52(76)58-15-13-53(3,4)17-24(58)23-9-10-28-54(5)18-25(59)44(85-48-38(70)33(65)35(67)42(83-48)45(72)73)57(8,51(74)75)29(54)11-12-56(28,7)55(23,6)14-16-58/h9,21-22,24-44,46-50,59-71H,10-20H2,1-8H3,(H,72,73)(H,74,75)/t21-,22+,24+,25+,26-,27+,28-,29-,30+,31+,32+,33+,34+,35+,36-,37-,38-,39-,40+,41+,42+,43-,44+,46+,47+,48+,49+,50+,54-,55-,56-,57+,58+/m1/s1
InChIKey XBTOCVCSOCBSJV-ZDHYYXAYSA-N
Mol Weight 1235.3 g/mol
Molecular Formula C58H90O28
Exact Mass 1234.561863 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2bgD1ySNwAM
Name #3;CELOSIN-J;3-O-BETA-D-GLUCURONOPYRANOSYL-MEDICAGENIC-ACID-28-O-ALPHA-L-ARABINOPYRANOSYL-(1->3)-[BETA-D-XYLOPYRANOSYL-(1->4)]-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-B
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H90O28
InChI InChI=1S/C58H90O28/c1-21-30(62)34(66)43(84-49-39(71)41(82-47-37(69)32(64)27(61)20-78-47)40(22(2)80-49)81-46-36(68)31(63)26(60)19-77-46)50(79-21)86-52(76)58-15-13-53(3,4)17-24(58)23-9-10-28-54(5)18-25(59)44(85-48-38(70)33(65)35(67)42(83-48)45(72)73)57(8,51(74)75)29(54)11-12-56(28,7)55(23,6)14-16-58/h9,21-22,24-44,46-50,59-71H,10-20H2,1-8H3,(H,72,73)(H,74,75)/t21-,22+,24+,25+,26-,27+,28-,29-,30+,31+,32+,33+,34+,35+,36-,37-,38-,39-,40+,41+,42+,43-,44+,46+,47+,48+,49+,50+,54-,55-,56-,57+,58+/m1/s1
InChIKey XBTOCVCSOCBSJV-ZDHYYXAYSA-N
Literature Reference Author X.PANG,H.X.YAN,Z.F.WANG,M.X.FAN,Y.ZHAO,X.T.FU,C.Q.XIONG,J.ZH ANG,B.P.MA,H.Z.GUO
Literature Reference Citation J.AS.NAT.PROD.RES.,16,240(2014)
Literature Reference DOI 10.1080/10286020.2013.879120
Molecular Weight 1235.336 g/mol
Solvent C5D5N
Source File Reference UWPA9068
SpectraBase Batch ID BPaR9itvaP4