John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=IQJbz0FXyhY SpectraBase Spectrum ID=108lG8mnGSO

(accessed ).
SWARTZIATRIOSIDE;OLEANOLIC-ACID-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL]-(1->3)-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID IQJbz0FXyhY
InChI InChI=1S/C47H76O17/c1-42(2)14-16-47(41(57)58)17-15-45(6)22(23(47)18-42)8-9-28-44(5)12-11-29(43(3,4)27(44)10-13-46(28,45)7)62-40-37(64-38-34(55)30(51)24(50)21-59-38)36(32(53)26(20-49)61-40)63-39-35(56)33(54)31(52)25(19-48)60-39/h8,23-40,48-56H,9-21H2,1-7H3,(H,57,58)/t23?,24?,25?,26-,27?,28?,29+,30?,31?,32-,33?,34?,35?,36+,37-,38?,39?,40+,44+,45-,46-,47+/m1/s1
InChIKey RMYDFFXGMJGAGO-CFDKTHJISA-N
Mol Weight 913.1 g/mol
Molecular Formula C47H76O17
Exact Mass 912.508252 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 108lG8mnGSO
Name SWARTZIATRIOSIDE;OLEANOLIC-ACID-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL]-(1->3)-BETA-D-GLUCOPYRANOSIDE
Compound Number 6
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H76O17
InChI InChI=1S/C47H76O17/c1-42(2)14-16-47(41(57)58)17-15-45(6)22(23(47)18-42)8-9-28-44(5)12-11-29(43(3,4)27(44)10-13-46(28,45)7)62-40-37(64-38-34(55)30(51)24(50)21-59-38)36(32(53)26(20-49)61-40)63-39-35(56)33(54)31(52)25(19-48)60-39/h8,23-40,48-56H,9-21H2,1-7H3,(H,57,58)/t23?,24?,25?,26-,27?,28?,29+,30?,31?,32-,33?,34?,35?,36+,37-,38?,39?,40+,44+,45-,46-,47+/m1/s1
InChIKey RMYDFFXGMJGAGO-CFDKTHJISA-N
Literature Reference Author M.S.ABDEL-KADER,B.D.BAHLER,S.MALONE,M.C.M.WERKHOVEN,J.H.WISS E,K.M.NEDDERMANN,I.B
Literature Reference Citation J.NAT.PROD.,63,1461(2000)
Literature Reference DOI 10.1021/np0000926
Molecular Weight 913.110 g/mol
Solvent PYRIDINE-D5
Source File Reference UWRU2259
SpectraBase Batch ID 55ryL5nnUnC