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(1Z,3E,7E,11E)-14-acetoxycembra-1,3,7,11-tetraene-9,10-diol
SpectraBase Compound ID 5LeQZwiTL5i
InChI InChI=1S/C22H34O4/c1-14(2)19-11-10-15(3)8-7-9-17(5)22(25)20(24)12-16(4)13-21(19)26-18(6)23/h9-12,14,20-22,24-25H,7-8,13H2,1-6H3/b15-10+,16-12+,17-9+,19-11-
InChIKey VJRYFYSHAWXPQA-XOBYWKSUSA-N
Mol Weight 362.5 g/mol
Molecular Formula C22H34O4
Exact Mass 362.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ilISi3vdNL
Name (1Z,3E,7E,11E)-14-ACETOXYCEMBrA-1,3,7,11-TETRAENE-9,10-DIOL
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-14(2)19-11-10-15(3)8-7-9-17(5)22(25)20(24)12-16(4)13-21(19)26-18(6)23/h9-12,14,20-22,24-25H,7-8,13H2,1-6H3/b15-10+,16-12+,17-9+,19-11-
InChIKey VJRYFYSHAWXPQA-XOBYWKSUSA-N
Literature Reference Author K.I.MARVILLE,S.MCLEAN,W.F.REYNOLDS,W.F.TINTO
Literature Reference Citation J.NAT.PROD.,66,1284(2003)
Literature Reference DOI 10.1021/np030091o
Molecular Weight 362.510 g/mol
Solvent CDCl3
Source File Reference UWSP1049