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ENT-3-BETA-ACETOXY-11-ALPHA-BROMO-12-OXO-13-EPI-MANOYL-OXIDE
SpectraBase Compound ID 9S9I0UDTPco
InChI InChI=1S/C22H33BrO4/c1-8-21(6)18(25)16(23)17-20(5)11-10-15(26-13(2)24)19(3,4)14(20)9-12-22(17,7)27-21/h8,14-17H,1,9-12H2,2-7H3/t14?,15-,16-,17?,20-,21+,22+/m1/s1
InChIKey LUERWDGYNNMERB-CMCBZBIGSA-N
Mol Weight 441.4 g/mol
Molecular Formula C22H33BrO4
Exact Mass 440.156223 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2k8gqrmCg2b
Name ENT-3-BETA-ACETOXY-11-ALPHA-BROMO-12-OXO-13-EPI-MANOYL-OXIDE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H33BrO4
InChI InChI=1S/C22H33BrO4/c1-8-21(6)18(25)16(23)17-20(5)11-10-15(26-13(2)24)19(3,4)14(20)9-12-22(17,7)27-21/h8,14-17H,1,9-12H2,2-7H3/t14?,15-,16-,17?,20-,21+,22+/m1/s1
InChIKey LUERWDGYNNMERB-CMCBZBIGSA-N
Literature Reference Author A.GARCIA-GRANADOS,E.LINAN,A.MARTINEZ,F.RIVAS,C.M.MESA-VALLE, J.J.CASTILLA-CALVENT
Literature Reference Citation J.NAT.PROD.,60,13(1997)
Literature Reference DOI 10.1021/np9603636
Molecular Weight 441.406 g/mol
Solvent CDCl3
Source File Reference UWGE2706