John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=4Dn6HnJGQq4 SpectraBase Spectrum ID=ATux672ZwaV

(accessed ).
28-O-[APIOFURANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-OLEANOLIC-ACID-ESTER
SpectraBase Compound ID 4Dn6HnJGQq4
InChI InChI=1S/C51H82O19/c1-24-36(67-40-34(58)32(56)27(53)20-63-40)37(68-43-39(60)51(62,22-52)23-65-43)35(59)41(66-24)69-38-33(57)28(54)21-64-42(38)70-44(61)50-17-15-45(2,3)19-26(50)25-9-10-30-47(6)13-12-31(55)46(4,5)29(47)11-14-49(30,8)48(25,7)16-18-50/h9,24,26-43,52-60,62H,10-23H2,1-8H3/t24-,26?,27+,28-,29?,30?,31-,32-,33-,34+,35+,36-,37-,38+,39-,40-,41-,42-,43-,47-,48+,49+,50-,51+/m0/s1
InChIKey JTXUOARVDAEJNA-XUPZHRDPSA-N
Mol Weight 999.2 g/mol
Molecular Formula C51H82O19
Exact Mass 998.545031 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ATux672ZwaV
Name 28-O-[APIOFURANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-OLEANOLIC-ACID-ESTER
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H82O19
InChI InChI=1S/C51H82O19/c1-24-36(67-40-34(58)32(56)27(53)20-63-40)37(68-43-39(60)51(62,22-52)23-65-43)35(59)41(66-24)69-38-33(57)28(54)21-64-42(38)70-44(61)50-17-15-45(2,3)19-26(50)25-9-10-30-47(6)13-12-31(55)46(4,5)29(47)11-14-49(30,8)48(25,7)16-18-50/h9,24,26-43,52-60,62H,10-23H2,1-8H3/t24-,26?,27+,28-,29?,30?,31-,32-,33-,34+,35+,36-,37-,38+,39-,40-,41-,42-,43-,47-,48+,49+,50-,51+/m0/s1
InChIKey JTXUOARVDAEJNA-XUPZHRDPSA-N
Literature Reference Author N.TAN,J.ZHOU,S.ZHAO
Literature Reference Citation PHYTOCHEM.,52,153(1999)
Literature Reference DOI 10.1016/S0031-9422(98)00454-3
Molecular Weight 999.201 g/mol
Solvent C5D5N
Source File Reference UWVN1210
SpectraBase Batch ID FY2uG1mnO7W