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CINCHOLIC-ACID-3-BETA-O-BETA-D-FUCOPYRANOSIDE
SpectraBase Compound ID C0B22XqgjUI
InChI InChI=1S/C36H56O9/c1-19-25(37)26(38)27(39)28(44-19)45-24-11-12-33(6)22(32(24,4)5)10-13-34(7)23(33)9-8-20-21-18-31(2,3)14-15-35(21,29(40)41)16-17-36(20,34)30(42)43/h8,19,21-28,37-39H,9-18H2,1-7H3,(H,40,41)(H,42,43)/t19-,21+,22+,23-,24+,25+,26+,27-,28+,33+,34-,35+,36-/m1/s1
InChIKey SBEFEKWSETYQKS-TZNBXMRGSA-N
Mol Weight 632.8 g/mol
Molecular Formula C36H56O9
Exact Mass 632.392433 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4DAFgxQYUoZ
Name CINCHOLIC-ACID-3-BETA-O-BETA-D-FUCOPYRANOSIDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H56O9
InChI InChI=1S/C36H56O9/c1-19-25(37)26(38)27(39)28(44-19)45-24-11-12-33(6)22(32(24,4)5)10-13-34(7)23(33)9-8-20-21-18-31(2,3)14-15-35(21,29(40)41)16-17-36(20,34)30(42)43/h8,19,21-28,37-39H,9-18H2,1-7H3,(H,40,41)(H,42,43)/t19-,21+,22+,23-,24+,25+,26+,27-,28+,33+,34-,35+,36-/m1/s1
InChIKey SBEFEKWSETYQKS-TZNBXMRGSA-N
Literature Reference Author S.FANG,Z.HE,G.FAN,H.WU,J.XU
Literature Reference Citation J.NAT.PROD.,59,304(1996)
Literature Reference DOI 10.1021/np960158q
Molecular Weight 632.835 g/mol
Solvent PYRIDINE-D5
Source File Reference UWVP2364