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BETA-STIGMASTEROL_STEARATE

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BETA-STIGMASTEROL_STEARATE
SpectraBase Compound ID 5lkVNyZz0DE
InChI InChI=1S/C47H82O2/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/h25-27,36-38,40-44H,8-24,28-35H2,1-7H3/b26-25+
InChIKey OCCJRXYEZCKHHI-OCEACIFDSA-N
Mol Weight 679.2 g/mol
Molecular Formula C47H82O2
Exact Mass 678.631482 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 43CeKmyh8vh
Name BETA-STIGMASTEROL_STEARATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H82O2
InChI InChI=1S/C47H82O2/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/h25-27,36-38,40-44H,8-24,28-35H2,1-7H3/b26-25+
InChIKey OCCJRXYEZCKHHI-OCEACIFDSA-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 679.167 g/mol
Solvent CDCl3
Source File Reference UIAP947