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BRUCEANTINOSIDE-C
SpectraBase Compound ID HQXTK6bm63V
InChI InChI=1S/C36H48O18/c1-13-8-17(50-31-23(42)22(41)21(40)18(11-37)51-31)28(44)34(6)16(13)10-19-35-12-49-36(32(47)48-7,29(45)24(43)26(34)35)27(35)25(30(46)52-19)53-20(39)9-14(2)33(4,5)54-15(3)38/h8-9,13,16,18-19,21-27,29,31,37,40-43,45H,10-12H2,1-7H3/b14-9+/t13-,16+,18+,19-,21+,22-,23+,24+,25-,26+,27-,29+,31+,34+,35-,36-/m0/s1
InChIKey XJIAVYYCXSQJAZ-FACCQVFASA-N
Mol Weight 768.8 g/mol
Molecular Formula C36H48O18
Exact Mass 768.284065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7yjcrUPHD4W
Name BRUCEANTINOSIDE-C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H48O18
InChI InChI=1S/C36H48O18/c1-13-8-17(50-31-23(42)22(41)21(40)18(11-37)51-31)28(44)34(6)16(13)10-19-35-12-49-36(32(47)48-7,29(45)24(43)26(34)35)27(35)25(30(46)52-19)53-20(39)9-14(2)33(4,5)54-15(3)38/h8-9,13,16,18-19,21-27,29,31,37,40-43,45H,10-12H2,1-7H3/b14-9+/t13-,16+,18+,19-,21+,22-,23+,24+,25-,26+,27-,29+,31+,34+,35-,36-/m0/s1
InChIKey XJIAVYYCXSQJAZ-FACCQVFASA-N
Literature Reference Author N.FUKAMIYA,M.OKANO,K.TAGAHARA,T.ARATANI,Y.MURAMOTO,K.H.LEE
Literature Reference Citation J.NAT.PROD.,50,1075(1987)
Literature Reference DOI 10.1021/np50054a010
Molecular Weight 768.766 g/mol
Solvent PYRIDINE-D5
Source File Reference UWCS4310