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(5-S)-5-ACETOXYACETYLCAESPITOL
SpectraBase Compound ID t6Fu25bJZZ
InChI InChI=1S/C19H29Br2ClO5/c1-10(23)25-13-9-18(5,22)15(21)7-12(13)19(6)16(26-11(2)24)8-14(20)17(3,4)27-19/h12-16H,7-9H2,1-6H3/t12-,13+,14+,15+,16+,18+,19+/m1/s1
InChIKey OMBBHMVIDWGJKW-XRJZGPCZSA-N
Mol Weight 532.7 g/mol
Molecular Formula C19H29Br2ClO5
Exact Mass 530.007028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ZJU8xaNVTg
Name (5-S)-5-ACETOXYACETYLCAESPITOL
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H29Br2ClO5
InChI InChI=1S/C19H29Br2ClO5/c1-10(23)25-13-9-18(5,22)15(21)7-12(13)19(6)16(26-11(2)24)8-14(20)17(3,4)27-19/h12-16H,7-9H2,1-6H3/t12-,13+,14+,15+,16+,18+,19+/m1/s1
InChIKey OMBBHMVIDWGJKW-XRJZGPCZSA-N
Literature Reference Author C.JHULLIER,M.FALKENBERG,E.IOANNOU,A.QUESADA,P.PAPAZAFIRI,P.A .HORTA,E.P.SCHENKEL,
Literature Reference Citation J.NAT.PROD.,73,27(2010)
Literature Reference DOI 10.1021/np900627r
Molecular Weight 532.697 g/mol
Sample ID 34322
Solvent CDCl3