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(1-S,3-Z,7-E,11-S,12-S)-(+)-VERTICILLA-3,7-DIEN-12,20-DIOL-ACETATE
SpectraBase Compound ID JKUc7qroP5X
InChI InChI=1S/C22H36O3/c1-16-7-6-8-18(15-25-17(2)23)10-11-19-13-14-22(5,24)20(12-9-16)21(19,3)4/h7,10,19-20,24H,6,8-9,11-15H2,1-5H3/b16-7+,18-10-/t19-,20+,22+/m1/s1
InChIKey ONBYNDRDNDICPR-NHUDBVNLSA-N
Mol Weight 348.5 g/mol
Molecular Formula C22H36O3
Exact Mass 348.266445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8etF9Ize8vj
Name (1-S,3-Z,7-E,11-S,12-S)-(+)-VERTICILLA-3,7-DIEN-12,20-DIOL-ACETATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H36O3
InChI InChI=1S/C22H36O3/c1-16-7-6-8-18(15-25-17(2)23)10-11-19-13-14-22(5,24)20(12-9-16)21(19,3)4/h7,10,19-20,24H,6,8-9,11-15H2,1-5H3/b16-7+,18-10-/t19-,20+,22+/m1/s1
InChIKey ONBYNDRDNDICPR-NHUDBVNLSA-N
Literature Reference Author J.D.HERNANDEZ-HERNANDEZ,L.U.ROMAN-MARIN,C.M.CERDA-GARCIA-ROJ AS,P.JOSEPH-NATHAN
Literature Reference Citation J.NAT.PROD.,68,1598(2005)
Literature Reference DOI 10.1021/np050323e
Molecular Weight 348.526 g/mol
Solvent CDCl3
Source File Reference UWMZ13057