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3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID
SpectraBase Compound ID RGinuUrL3y
InChI InChI=1S/C42H66O14/c1-19-26(44)27(45)29(47)34(53-19)55-31-28(46)30(48)35(56-32(31)33(49)50)54-25-12-13-39(6)22(38(25,4)5)11-14-40(7)23(39)10-9-20-21-17-37(2,3)15-16-42(21,36(51)52)24(43)18-41(20,40)8/h9,19,21-32,34-35,43-48H,10-18H2,1-8H3,(H,49,50)(H,51,52)/t19-,21+,22+,23-,24-,25+,26-,27+,28-,29+,30-,31+,32+,34-,35-,39+,40-,41-,42-/m1/s1
InChIKey RLADGUJQCAQKPZ-ADLIFXPLSA-N
Mol Weight 795.0 g/mol
Molecular Formula C42H66O14
Exact Mass 794.445257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1c212Hb8xA5
Name 3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H66O14
InChI InChI=1S/C42H66O14/c1-19-26(44)27(45)29(47)34(53-19)55-31-28(46)30(48)35(56-32(31)33(49)50)54-25-12-13-39(6)22(38(25,4)5)11-14-40(7)23(39)10-9-20-21-17-37(2,3)15-16-42(21,36(51)52)24(43)18-41(20,40)8/h9,19,21-32,34-35,43-48H,10-18H2,1-8H3,(H,49,50)(H,51,52)/t19-,21+,22+,23-,24-,25+,26-,27+,28-,29+,30-,31+,32+,34-,35-,39+,40-,41-,42-/m1/s1
InChIKey RLADGUJQCAQKPZ-ADLIFXPLSA-N
Literature Reference Author F.R.MELEK,T.MIYASE,S.M.A.KHALIK,M.R.EL-GINDI
Literature Reference Citation PHYTOCHEM.,63,401(2003)
Literature Reference DOI 10.1016/S0031-9422(03)00117-1
Molecular Weight 794.978 g/mol
Solvent C5D5N
Source File Reference UWLU29735