N,N,N,N',N'-TETRAMETHYL-1,5,9-TRIAZANONANE-1,9-BIS-(N,N'-DIMETHYL-N,N'-3-BETA-ACETATE-5-BETA-CHOLESTAN)-AMMONIUM-DIBROMIDE
Compound with spectra: 1 NMR
| SpectraBase Compound ID | 6UtNQHk5taP |
|---|---|
| InChI | InChI=1S/C68H123N3O4.2BrH/c1-47(2)19-15-21-49(5)57-27-29-59-55-25-23-51-43-53(31-35-65(51,7)61(55)33-37-67(57,59)9)74-63(72)45-70(11,12)41-17-39-69-40-18-42-71(13,14)46-64(73)75-54-32-36-66(8)52(44-54)24-26-56-60-30-28-58(50(6)22-16-20-48(3)4)68(60,10)38-34-62(56)66;;/h47-62,69H,15-46H2,1-14H3;2*1H/q+2;;/p-2/t49-,50-,51-,52-,53+,54+,55+,56+,57-,58-,59+,60+,61+,62+,65+,66+,67-,68-;;/m1../s1 |
| InChIKey | MVZZICUNJKBSQD-MXIWJLAWSA-L |
| Mol Weight | 1206.6 g/mol |
| Molecular Formula | C68H123Br2N3O4 |
| Exact Mass | 1203.788035 g/mol |
| Parent InChIKey | LWSAFAXEWHFEEA-XGDZVTQJSA-L |
| Enantiomer InChIKey | MVZZICUNJKBSQD-MTKSKRHUSA-L |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
TRIMETHYLENE-1,3-BIS-(N,N'-DIMETHYL-N,N'-3-BETA-ACETATE-5-BETA-CHOLESTAN)-AMMONIUM-DIBROMIDE
Cholestan-3-ol, 3,3,3-trifluoropropanoate, (3.beta.,5.alpha.)-
Cholestan-3-ol, difluoroacetate, (3.beta.,5.alpha.)-
O-Cholestan-3.beta.-yl trichloroacetate
Methacrylic acid, 3-cholestanyl ester
5.alpha.-Cholestan-3.beta.-ol, trifluoroacetate
25-Hydroxy-5.alpha.-cholestan-3.beta.-yl acetate
Cholestan-3-ol, 3,4,4,4-tetrafluoro-2-butenoate, (3.beta.,5.alpha.)-
CHOLESTAN-3-ALPHA-YL-BENZOATE
3-ALPHA-BENZOYLOXY-CHOLESTANE
| Title | Journal or Book | Year |
|---|---|---|
| Synthesis, Spectroscopic and Theoretical Studies of New Dimeric Quaternary Alkylammonium Conjugates of Sterols | Molecules | 2014 |
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.