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16-ACETOXY-15-BROMO-7-HYDROXY-9-(11)-PARGUERENE
SpectraBase Compound ID BpJXQUknzBB
InChI InChI=1S/C22H33BrO3/c1-13(24)26-12-19(23)20(2)7-6-16-15(11-20)17(25)9-18-21(16,3)8-5-14-10-22(14,18)4/h6,14-15,17-19,25H,5,7-12H2,1-4H3/t14-,15-,17-,18+,19?,20+,21+,22+/m0/s1
InChIKey TVPGLKMZPNMCDZ-AYTPWXACSA-N
Mol Weight 425.4 g/mol
Molecular Formula C22H33BrO3
Exact Mass 424.161308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AvP33jxsQ4h
Name 16-ACETOXY-15-BROMO-7-HYDROXY-9-(11)-PARGUERENE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H33BrO3
InChI InChI=1S/C22H33BrO3/c1-13(24)26-12-19(23)20(2)7-6-16-15(11-20)17(25)9-18-21(16,3)8-5-14-10-22(14,18)4/h6,14-15,17-19,25H,5,7-12H2,1-4H3/t14-,15-,17-,18+,19?,20+,21+,22+/m0/s1
InChIKey TVPGLKMZPNMCDZ-AYTPWXACSA-N
Literature Reference Author E.IOANNOU,M.NAPPO,C.AVILA,C.VAGIAS,V.ROUSSIS
Literature Reference Citation J.NAT.PROD.,72,1716(2009)
Literature Reference DOI 10.1021/np900298a
Molecular Weight 425.406 g/mol
Sample ID 33608
Solvent CDCl3