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3-O-[BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-XYLOPYRANOSYL]-6-O-BETA-D-GLUCURONOPYRANOSYL-3-BETA,6-ALPHA,16-BETA,(24S),25-PENTAHYDROXY-XYXLOARTANE
SpectraBase Compound ID F0GzL3UjMhl
InChI InChI=1S/C46H76O19/c1-19(8-9-25(50)42(4,5)59)27-20(47)15-44(7)24-14-23(62-39-33(56)30(53)31(54)34(64-39)37(57)58)36-41(2,3)26(10-11-46(36)18-45(24,46)13-12-43(27,44)6)63-40-35(29(52)22(49)17-61-40)65-38-32(55)28(51)21(48)16-60-38/h19-36,38-40,47-56,59H,8-18H2,1-7H3,(H,57,58)/t19-,20+,21-,22-,23+,24+,25+,26+,27+,28+,29+,30-,31-,32-,33+,34-,35-,36+,38+,39+,40+,43-,44+,45+,46-/m1/s1
InChIKey JKAAEEQYBMLHTI-XGZORCJRSA-N
Mol Weight 933.1 g/mol
Molecular Formula C46H76O19
Exact Mass 932.49808 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3xrkDv0jM9F
Name 3-O-[BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-XYLOPYRANOSYL]-6-O-BETA-D-GLUCURONOPYRANOSYL-3-BETA,6-ALPHA,16-BETA,(24S),25-PENTAHYDROXY-XYXLOARTANE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H76O19
InChI InChI=1S/C46H76O19/c1-19(8-9-25(50)42(4,5)59)27-20(47)15-44(7)24-14-23(62-39-33(56)30(53)31(54)34(64-39)37(57)58)36-41(2,3)26(10-11-46(36)18-45(24,46)13-12-43(27,44)6)63-40-35(29(52)22(49)17-61-40)65-38-32(55)28(51)21(48)16-60-38/h19-36,38-40,47-56,59H,8-18H2,1-7H3,(H,57,58)/t19-,20+,21-,22-,23+,24+,25+,26+,27+,28+,29+,30-,31-,32-,33+,34-,35-,36+,38+,39+,40+,43-,44+,45+,46-/m1/s1
InChIKey JKAAEEQYBMLHTI-XGZORCJRSA-N
Literature Reference Author T.SAVRAN,D.GULCEMAL,M.MASULLO,T.KARAYIDIRIM,E.POLAT,S.PIACEN TE,O.ALANKUS-CALISKA
Literature Reference Citation REC.NAT.PROD.,6,230(2012)
Molecular Weight 933.098 g/mol
Solvent CD3OD
Source File Reference UWBT15236