John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=4pAKqyvrs0H SpectraBase Spectrum ID=2UXwnE6hSsw

(accessed ).
MINOR_ISOMER
SpectraBase Compound ID 4pAKqyvrs0H
InChI InChI=1S/C29H31NO2S/c1-23-17-18-27-28(19-24-11-5-2-6-12-24)30(21-25-13-7-3-8-14-25)22-29(27,20-23)33(31,32)26-15-9-4-10-16-26/h2-18,23,27-28H,19-22H2,1H3/t23-,27+,28-,29+/m0/s1
InChIKey PMLMFGYLJYMLAO-AVUDXFIYSA-N
Mol Weight 457.63 g/mol
Molecular Formula C29H31NO2S
Exact Mass 457.207551 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2UXwnE6hSsw
Name MINOR_ISOMER
Compound Number CIS-ALPHA-15
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H31NO2S
InChI InChI=1S/C29H31NO2S/c1-23-17-18-27-28(19-24-11-5-2-6-12-24)30(21-25-13-7-3-8-14-25)22-29(27,20-23)33(31,32)26-15-9-4-10-16-26/h2-18,23,27-28H,19-22H2,1H3/t23-,27+,28-,29+/m0/s1
InChIKey PMLMFGYLJYMLAO-AVUDXFIYSA-N
Literature Reference Author H.TAKEUCHI,T.FUJIMOTO,K.HOSHINO,J.MOTOYOSHIYA,A.KAKEHI,I.YAM AMOTO
Literature Reference Citation J.ORG.CHEM.,63,7172(1998)
Literature Reference DOI 10.1021/jo980181b
Molecular Weight 457.631 g/mol
Sample ID 26008
Solvent CDCl3
SpectraBase Batch ID 7IFZX2kdWWY