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(3R,5S,6S,8S,9S,10R,13R)-3-BROMO-6-HYDROXY-8,13-EPOXYLABD-14-EN-1-ONE
SpectraBase Compound ID I6enEpWKCIz
InChI InChI=1S/C20H31BrO3/c1-7-18(4)9-8-13-19(5,24-18)11-12(22)16-17(2,3)14(21)10-15(23)20(13,16)6/h7,12-14,16,22H,1,8-11H2,2-6H3/t12-,13+,14+,16+,18-,19-,20+/m0/s1
InChIKey RCIPFLDRBRMOJS-XLUASRDZSA-N
Mol Weight 399.37 g/mol
Molecular Formula C20H31BrO3
Exact Mass 398.145658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5UhoQyxIB3b
Name (3R,5S,6S,8S,9S,10R,13R)-3-BROMO-6-HYDROXY-8,13-EPOXYLABD-14-EN-1-ONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H31BrO3
InChI InChI=1S/C20H31BrO3/c1-7-18(4)9-8-13-19(5,24-18)11-12(22)16-17(2,3)14(21)10-15(23)20(13,16)6/h7,12-14,16,22H,1,8-11H2,2-6H3/t12-,13+,14+,16+,18-,19-,20+/m0/s1
InChIKey RCIPFLDRBRMOJS-XLUASRDZSA-N
Literature Reference Author M.SUZUKI,S.NAKANO,Y.TAKAHASHI,T.ABE,M.MASUDA,H.TAKAHASHI,K.K OBAYASHI
Literature Reference Citation J.NAT.PROD.,65,801(2002)
Literature Reference DOI 10.1021/np010596j
Molecular Weight 399.368 g/mol
Solvent C6D6
Source File Reference UWSI6003