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3-BETA-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-GLUCURONOPYRANOSYL]-2-BETA,3-BETA,23-TRIHYDROXYOLEAN-12-EN-28-OIC-ACID-28-O-[BETA-D-GLUCOPYRANOSYL]-E
SpectraBase Compound ID H8j11ZLfqzm
InChI InChI=1S/C48H76O20/c1-20-27(52)29(54)31(56)39(63-20)65-35-33(58)36(38(60)61)66-41(34(35)59)67-37-23(51)17-44(4)25(45(37,5)19-50)10-11-47(7)26(44)9-8-21-22-16-43(2,3)12-14-48(22,15-13-46(21,47)6)42(62)68-40-32(57)30(55)28(53)24(18-49)64-40/h8,20,22-37,39-41,49-59H,9-19H2,1-7H3,(H,60,61)/t20-,22?,23-,24+,25?,26?,27-,28+,29+,30-,31+,32+,33-,34+,35-,36-,37-,39-,40-,41-,44-,45-,46+,47+,48-/m0/s1
InChIKey HELVNAROXHFAIE-ZBBQDSFQSA-N
Mol Weight 973.1 g/mol
Molecular Formula C48H76O20
Exact Mass 972.492995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EwlVQzwWa33
Name 3-BETA-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-GLUCURONOPYRANOSYL]-2-BETA,3-BETA,23-TRIHYDROXYOLEAN-12-EN-28-OIC-ACID-28-O-[BETA-D-GLUCOPYRANOSYL]-E
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H76O20
InChI InChI=1S/C48H76O20/c1-20-27(52)29(54)31(56)39(63-20)65-35-33(58)36(38(60)61)66-41(34(35)59)67-37-23(51)17-44(4)25(45(37,5)19-50)10-11-47(7)26(44)9-8-21-22-16-43(2,3)12-14-48(22,15-13-46(21,47)6)42(62)68-40-32(57)30(55)28(53)24(18-49)64-40/h8,20,22-37,39-41,49-59H,9-19H2,1-7H3,(H,60,61)/t20-,22?,23-,24+,25?,26?,27-,28+,29+,30-,31+,32+,33-,34+,35-,36-,37-,39-,40-,41-,44-,45-,46+,47+,48-/m0/s1
InChIKey HELVNAROXHFAIE-ZBBQDSFQSA-N
Literature Reference Author M.JUNKUSZEW,W.OLESZEK,M.JURZYSTA,S.PIANCENTE,C.PIZZA
Literature Reference Citation PHYTOCHEM.,49,195(1998)
Literature Reference DOI 10.1016/S0031-9422(97)00904-7
Molecular Weight 973.119 g/mol
Solvent CD3OD
Source File Reference UWLU67