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3-O-BETA-[RHAMNOPYRANOSYL-(1->3)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID
SpectraBase Compound ID E1fSr8P3J5x
InChI InChI=1S/C42H66O13/c1-20-26(43)27(44)28(45)34(52-20)54-31-29(46)32(33(48)49)55-35(30(31)47)53-25-12-13-39(6)23(38(25,4)5)11-14-41(8)24(39)10-9-21-22-19-37(2,3)15-17-42(22,36(50)51)18-16-40(21,41)7/h9,20,22-32,34-35,43-47H,10-19H2,1-8H3,(H,48,49)(H,50,51)/t20-,22?,23?,24?,25-,26-,27+,28+,29-,30+,31-,32-,34-,35+,39-,40+,41+,42-/m0/s1
InChIKey NSJVFPXRIPXFLW-VHNZIPCMSA-N
Mol Weight 779.0 g/mol
Molecular Formula C42H66O13
Exact Mass 778.450342 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1qcGjRksDZf
Name 3-O-BETA-[RHAMNOPYRANOSYL-(1->3)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H66O13
InChI InChI=1S/C42H66O13/c1-20-26(43)27(44)28(45)34(52-20)54-31-29(46)32(33(48)49)55-35(30(31)47)53-25-12-13-39(6)23(38(25,4)5)11-14-41(8)24(39)10-9-21-22-19-37(2,3)15-17-42(22,36(50)51)18-16-40(21,41)7/h9,20,22-32,34-35,43-47H,10-19H2,1-8H3,(H,48,49)(H,50,51)/t20-,22?,23?,24?,25-,26-,27+,28+,29-,30+,31-,32-,34-,35+,39-,40+,41+,42-/m0/s1
InChIKey NSJVFPXRIPXFLW-VHNZIPCMSA-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 778.978 g/mol
Solvent C5D5N
Source File Reference UWVN1173