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EClIPTALBINE;(3S,20R)-20-(3-HYDROXY-5-METHYL-2-PYRIDYL)-CHOLEST-5-ENE-2,23-DIOL
SpectraBase Compound ID CLMuR5HEJaz
InChI InChI=1S/C27H39NO2/c1-16-13-24(30)25(28-15-16)17(2)21-7-8-22-20-6-5-18-14-19(29)9-11-26(18,3)23(20)10-12-27(21,22)4/h5,13,15,17,19-23,29-30H,6-12,14H2,1-4H3/t17-,19+,20+,21-,22+,23+,26+,27-/m1/s1
InChIKey RODDEOSIMRCKKR-QWMOJLDXSA-N
Mol Weight 409.6 g/mol
Molecular Formula C27H39NO2
Exact Mass 409.298079 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DRYGSEJU2hv
Name EClIPTALBINE;(3S,20R)-20-(3-HYDROXY-5-METHYL-2-PYRIDYL)-CHOLEST-5-ENE-2,23-DIOL
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H39NO2
InChI InChI=1S/C27H39NO2/c1-16-13-24(30)25(28-15-16)17(2)21-7-8-22-20-6-5-18-14-19(29)9-11-26(18,3)23(20)10-12-27(21,22)4/h5,13,15,17,19-23,29-30H,6-12,14H2,1-4H3/t17-,19+,20+,21-,22+,23+,26+,27-/m1/s1
InChIKey RODDEOSIMRCKKR-QWMOJLDXSA-N
Literature Reference Author M.S.ABDEL-KADER,B.D.BAHLER,S.MALONE,M.C.M.WERKHOVEN,F.VANTRO ON,D.J.H.WISSE,I.BUR
Literature Reference Citation J.NAT.PROD.,61,1202(1998)
Literature Reference DOI 10.1021/np970561c
Molecular Weight 409.612 g/mol
Solvent CDCl3
Source File Reference UWCP3935