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(24S)-24-ETHYLCHOLESTA-5,22(E),25-TRIEN-3-BETA-YL-ACETATE
SpectraBase Compound ID AOs6e4pNovE
InChI InChI=1S/C31H48O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,21,23,25-29H,2,8,12-19H2,1,3-7H3/b10-9+/t21-,23-,25+,26-,27-,28+,29+,30+,31?/m1/s1
InChIKey MOEVEIGHSLNJAI-RDVSFATKSA-N
Mol Weight 452.7 g/mol
Molecular Formula C31H48O2
Exact Mass 452.365431 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AUM8lLvfwZA
Name (24S)-24-ETHYLCHOLESTA-5,22(E),25-TRIEN-3-BETA-YL-ACETATE
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H48O2
InChI InChI=1S/C31H48O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,21,23,25-29H,2,8,12-19H2,1,3-7H3/b10-9+/t21-,23-,25+,26-,27-,28+,29+,30+,31?/m1/s1
InChIKey MOEVEIGHSLNJAI-RDVSFATKSA-N
Literature Reference Author H.GASPAR,F.M.S.B.PALMA,M.C.D.L.TORRE,B.RODRIGUEZ
Literature Reference Citation PHYTOCHEM.,43,613(1996)
Literature Reference DOI 10.1016/0031-9422(96)00337-8
Molecular Weight 452.721 g/mol
Solvent CDCl3
Source File Reference UWMS2056