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(1S,3R,5S,6S,8S,9S,10R,13R)-1-ACETOXY-3-BROMO-6-HYDROXY-8,13-EPOXYLABD-14-ENE
SpectraBase Compound ID 3vNuv76Ai7x
InChI InChI=1S/C22H35BrO4/c1-8-20(5)10-9-15-21(6,27-20)12-14(25)18-19(3,4)16(23)11-17(22(15,18)7)26-13(2)24/h8,14-18,25H,1,9-12H2,2-7H3/t14-,15+,16+,17-,18+,20-,21-,22+/m0/s1
InChIKey JPPHIVOLANTITC-VUHIERMNSA-N
Mol Weight 443.4 g/mol
Molecular Formula C22H35BrO4
Exact Mass 442.171873 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9pClB53tZ60
Name (1S,3R,5S,6S,8S,9S,10R,13R)-1-ACETOXY-3-BROMO-6-HYDROXY-8,13-EPOXYLABD-14-ENE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H35BrO4
InChI InChI=1S/C22H35BrO4/c1-8-20(5)10-9-15-21(6,27-20)12-14(25)18-19(3,4)16(23)11-17(22(15,18)7)26-13(2)24/h8,14-18,25H,1,9-12H2,2-7H3/t14-,15+,16+,17-,18+,20-,21-,22+/m0/s1
InChIKey JPPHIVOLANTITC-VUHIERMNSA-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 443.422 g/mol
Solvent C6D6
Source File Reference UWSI6002