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SANTINOL_C
SpectraBase Compound ID CnrYfWEihY8
InChI InChI=1S/C26H44O7/c1-6-9-10-11-12-13-14-15-16-17-24(28)33-22(18-31-25(29)20(4)7-2)19-32-26(30)21(5)23(27)8-3/h7,21-22H,6,8-19H2,1-5H3/b20-7-/t21?,22-/m1/s1
InChIKey QOBILSGTBDOMDL-QQZHTNRVSA-N
Mol Weight 468.6 g/mol
Molecular Formula C26H44O7
Exact Mass 468.308704 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Brc20HzCyAe
Name SANTINOL_C
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H44O7
InChI InChI=1S/C26H44O7/c1-6-9-10-11-12-13-14-15-16-17-24(28)33-22(18-31-25(29)20(4)7-2)19-32-26(30)21(5)23(27)8-3/h7,21-22H,6,8-19H2,1-5H3/b20-7-/t21?,22-/m1/s1
InChIKey QOBILSGTBDOMDL-QQZHTNRVSA-N
Literature Reference Author O.TAGLIALATELA-SCAFATI,F.POLLASTRO,G.CHIANESE,A.MINASSI,S.GI BBONS,W.ARUNOTAYANUM
Literature Reference Citation J.NAT.PROD.,76,346(2013)
Literature Reference DOI 10.1021/np3007149
Molecular Weight 468.631 g/mol
Sample ID 42271
Solvent CDCl3