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HEDEROSIDE-C
SpectraBase Compound ID GLY9bLp0U80
InChI InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1
InChIKey KEOITPILCOILGM-LLJOFIFVSA-N
Mol Weight 751.0 g/mol
Molecular Formula C41H66O12
Exact Mass 750.455428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4hmXlgOS4Ut
Name HEDEROSIDE-C
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H66O12
InChI InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1
InChIKey KEOITPILCOILGM-LLJOFIFVSA-N
Literature Reference Author W.LI,Y.N.SUN,X.T.YAN,S.Y.YANG,S.J.LEE,H.J.BYUN,C.S.MOON,B.S. HAN,Y.H.KIM
Literature Reference Citation MOLECULES,18,5306(2013)
Literature Reference DOI 10.3390/molecules18055306
Molecular Weight 750.968 g/mol
Solvent C5D5N
Source File Reference UWBT9302