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METHYL-20-DEETHYL-2,16-DIDEHYDRO-6-ALPHA-(PHENYLTHIO)-TUBIFOLIDINE-1-CARBOXYLATE

View entire compound with spectra: 1 NMR

METHYL-20-DEETHYL-2,16-DIDEHYDRO-6-ALPHA-(PHENYLTHIO)-TUBIFOLIDINE-1-CARBOXYLATE
SpectraBase Compound ID 4cvhAb9TE68
InChI InChI=1S/C24H24N2O2S/c1-28-23(27)26-19-10-6-5-9-18(19)24-20-13-16(14-21(24)26)11-12-25(20)15-22(24)29-17-7-3-2-4-8-17/h2-10,14,16,20,22H,11-13,15H2,1H3/t16?,20?,22-,24+/m1/s1
InChIKey QKGIYMHLGRZZPY-UKHQERGLSA-N
Mol Weight 404.53 g/mol
Molecular Formula C24H24N2O2S
Exact Mass 404.155849 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID glQppfDPSW
Name METHYL-20-DEETHYL-2,16-DIDEHYDRO-6-ALPHA-(PHENYLTHIO)-TUBIFOLIDINE-1-CARBOXYLATE
CAS Registry Number 99552-97-3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H24N2O2S
InChI InChI=1S/C24H24N2O2S/c1-28-23(27)26-19-10-6-5-9-18(19)24-20-13-16(14-21(24)26)11-12-25(20)15-22(24)29-17-7-3-2-4-8-17/h2-10,14,16,20,22H,11-13,15H2,1H3/t16?,20?,22-,24+/m1/s1
InChIKey QKGIYMHLGRZZPY-UKHQERGLSA-N
Literature Reference Author M.AMAT,J.BOSCH
Literature Reference Citation J.ORG.CHEM.,57,5792(1992)
Literature Reference DOI 10.1021/jo00047a047
Molecular Weight 404.527 g/mol
Solvent CDCl3
Source File Reference UWCS355