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BETA-SITOSTEROL_STEARATE

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BETA-SITOSTEROL_STEARATE
SpectraBase Compound ID 2hiTygGJb95
InChI InChI=1S/C47H84O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-45(48)49-40-31-33-46(6)39(35-40)27-28-41-43-30-29-42(47(43,7)34-32-44(41)46)37(5)25-26-38(9-2)36(3)4/h27,36-38,40-44H,8-26,28-35H2,1-7H3
InChIKey ZXGIHLGVUYXAEI-UHFFFAOYSA-N
Mol Weight 681.2 g/mol
Molecular Formula C47H84O2
Exact Mass 680.647132 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FuGe3NoAxhI
Name BETA-SITOSTEROL_STEARATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H84O2
InChI InChI=1S/C47H84O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-45(48)49-40-31-33-46(6)39(35-40)27-28-41-43-30-29-42(47(43,7)34-32-44(41)46)37(5)25-26-38(9-2)36(3)4/h27,36-38,40-44H,8-26,28-35H2,1-7H3
InChIKey ZXGIHLGVUYXAEI-UHFFFAOYSA-N
Literature Reference Author M.P.DUPONT,G.LLABRES,C.DELAUDE,L.TCHISSAMBOU,J.P.GASTMANS
Literature Reference Citation PLANTA.MED.,63,282(1997)
Literature Reference DOI 10.1055/s-2006-957678
Molecular Weight 681.183 g/mol
Solvent CDCl3
Source File Reference UIAP946