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#SI-9;(2S,5S,6S,13S,9E)-5-[4-(4-FLUOROPHENYL)-PIPERAZIN-1-YLMETHYL]-5,13-DIHYDROXY-6,10-DIMETHYLTRICYCLO-[13.2.2.0(2,6)]-NONADECA-1(17),9,15,18-TETRAEN-17-YL-5

View entire compound with spectra: 1 NMR

#SI-9;(2S,5S,6S,13S,9E)-5-[4-(4-FLUOROPHENYL)-PIPERAZIN-1-YLMETHYL]-5,13-DIHYDROXY-6,10-DIMETHYLTRICYCLO-[13.2.2.0(2,6)]-NONADECA-1(17),9,15,18-TETRAEN-17-YL-5
SpectraBase Compound ID 609Jb7PA444
InChI InChI=1S/C38H47FN2O3S/c1-26-5-4-17-37(3)34(16-18-38(37,44)25-40-19-21-41(22-20-40)30-11-9-29(39)10-12-30)32-14-8-28(23-31(42)13-6-26)24-33(32)36(43)35-15-7-27(2)45-35/h5,7-12,14-15,24,31,34,42,44H,4,6,13,16-23,25H2,1-3H3/b26-5+/t31-,34-,37-,38+/m0/s1
InChIKey KEQOCTUVLOWTKH-FZSYOUKASA-N
Mol Weight 630.9 g/mol
Molecular Formula C38H47FN2O3S
Exact Mass 630.329143 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8YMYN198maG
Name #SI-9;(2S,5S,6S,13S,9E)-5-[4-(4-FLUOROPHENYL)-PIPERAZIN-1-YLMETHYL]-5,13-DIHYDROXY-6,10-DIMETHYLTRICYCLO-[13.2.2.0(2,6)]-NONADECA-1(17),9,15,18-TETRAEN-17-YL-5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H47FN2O3S
InChI InChI=1S/C38H47FN2O3S/c1-26-5-4-17-37(3)34(16-18-38(37,44)25-40-19-21-41(22-20-40)30-11-9-29(39)10-12-30)32-14-8-28(23-31(42)13-6-26)24-33(32)36(43)35-15-7-27(2)45-35/h5,7-12,14-15,24,31,34,42,44H,4,6,13,16-23,25H2,1-3H3/b26-5+/t31-,34-,37-,38+/m0/s1
InChIKey KEQOCTUVLOWTKH-FZSYOUKASA-N
Literature Reference Author N.KUMAR,M.KIUCHI,J.A.TALLARICO,S.L.SCHREIBER
Literature Reference Citation ORG.LETTERS,7,2535(2005)
Literature Reference DOI 10.1021/ol0504345
Molecular Weight 630.861 g/mol
Sample ID 42968
Solvent CDCl3