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1-HYDROPEROXY-7,12-DIHYDROXYBISABOLA-2,10-DIENE_7-BETA-D-FUCOPYRANOSIDE
SpectraBase Compound ID KZ96t7xGXSQ
InChI InChI=1S/C21H36O8/c1-13(12-22)6-5-9-21(4,15-7-10-20(3,29-26)11-8-15)28-19-18(25)17(24)16(23)14(2)27-19/h6-7,10,14-19,22-26H,5,8-9,11-12H2,1-4H3/b13-6-/t14-,15-,16+,17+,18-,19+,20?,21+/m1/s1
InChIKey NRSRHPFZQKNPHH-FCJRMMOKSA-N
Mol Weight 416.5 g/mol
Molecular Formula C21H36O8
Exact Mass 416.241018 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GzgwBYZsOwL
Name 1-HYDROPEROXY-7,12-DIHYDROXYBISABOLA-2,10-DIENE_7-BETA-D-FUCOPYRANOSIDE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H36O8
InChI InChI=1S/C21H36O8/c1-13(12-22)6-5-9-21(4,15-7-10-20(3,29-26)11-8-15)28-19-18(25)17(24)16(23)14(2)27-19/h6-7,10,14-19,22-26H,5,8-9,11-12H2,1-4H3/b13-6-/t14-,15-,16+,17+,18-,19+,20?,21+/m1/s1
InChIKey NRSRHPFZQKNPHH-FCJRMMOKSA-N
Literature Reference Author O.TAGLIALATELA-SCAFATI,F.POLLASTRO,L.CICIONE,G.CHIANESE,M.L. BELLIDO,E.MUNOZ,H.C.
Literature Reference Citation J.NAT.PROD.,75,453(2012)
Literature Reference DOI 10.1021/np2008973
Molecular Weight 416.512 g/mol
Sample ID 40173
Solvent CD3OD