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((S)-7,7-DIMETHYL-2-OXO-BICYCLO-[2.2.1]-HEPT-1-YL)-METHANESULFONIC_ACID_4-[2-((1-R,3-S,5-S)-7-OXO-2,6-DIOXABICYCLO-[3.3.1]-NON-3-YL)-ETHYL)
SpectraBase Compound ID 3COxeDBcXqL
InChI InChI=1S/C25H32O7S/c1-24(2)17-9-10-25(24,22(26)11-17)15-33(28,29)32-18-6-3-16(4-7-18)5-8-19-12-20-13-21(30-19)14-23(27)31-20/h3-4,6-7,17,19-21H,5,8-15H2,1-2H3/t17-,19-,20+,21+,25-/m0/s1
InChIKey CSOAVGWIXURMHD-VYUNXUKRSA-N
Mol Weight 476.6 g/mol
Molecular Formula C25H32O7S
Exact Mass 476.186875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EUtxA1yu29t
Name ((S)-7,7-DIMETHYL-2-OXO-BICYCLO-[2.2.1]-HEPT-1-YL)-METHANESULFONIC_ACID_4-[2-((1-R,3-S,5-S)-7-OXO-2,6-DIOXABICYCLO-[3.3.1]-NON-3-YL)-ETHYL)
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H32O7S
InChI InChI=1S/C25H32O7S/c1-24(2)17-9-10-25(24,22(26)11-17)15-33(28,29)32-18-6-3-16(4-7-18)5-8-19-12-20-13-21(30-19)14-23(27)31-20/h3-4,6-7,17,19-21H,5,8-15H2,1-2H3/t17-,19-,20+,21+,25-/m0/s1
InChIKey CSOAVGWIXURMHD-VYUNXUKRSA-N
Literature Reference Author M.OUEDRAOGO,H.CARREYRE,C.VANDEBROUCK,J.BESCOND,G.RAYMOND,I.P .GUISSOU,C.COGNARD,F
Literature Reference Citation J.NAT.PROD.,70,2006(2007)
Literature Reference DOI 10.1021/np070355x
Molecular Weight 476.585 g/mol
Sample ID 31242
Solvent CDCl3