5-ALPHA-CHOLESTAN-3-BETA-YL-ACETATE
Compound with spectra: 3 NMR, and 1 MS (GC)
| SpectraBase Compound ID | B7UPtSoBS9W |
|---|---|
| InChI | InChI=1S/C29H50O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-20,22-27H,7-18H2,1-6H3/t20-,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | PHLIUSDPFOUISN-SPTWOZHASA-N |
| Mol Weight | 430.7 g/mol |
| Molecular Formula | C29H50O2 |
| Exact Mass | 430.381081 g/mol |
| Enantiomer InChIKey | PHLIUSDPFOUISN-NSVYXDCSSA-N |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | X4-21-545-0 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3:DIOXANE |
- 3.beta.-Acetoxy-5.alpha.-cholestane
- 5.alpha.-Cholestan-3.beta.-ol - Acetate
5α-cholestan-3β-ol, chloroformate
24-norcholan-3-ol, 23-chloro-, acetate, (3.alpha.,5.beta.)-
23-iodo-24-nor-5.beta.-chloan-3.alpha.-yl acetate
Cholestan-3-ol, difluoroacetate, (3.beta.,5.alpha.)-
24-Isopropyl-5.alpha.-cholestan-3.beta.-ol - Acetate
Endogenous (CN) acetate dev.
3.beta.-Acetoxy-24.epsilon.-ethyl-5.alpha.-cholestane
Lithocholic acid, methyl ester acetate
| Title | Journal or Book | Year |
|---|---|---|
| 13C nuclear magnetic resonance spectra of bridged-ring steroids and related compounds | Magnetic Resonance in Chemistry | 1985 |
| Assignment of the 13C N.M.R. Spectra of Some 22,26-Epiminocholestanes 22,26-Epiminocholest-22(N)-enes and Some 3β-Amino Steroidal Alkaloids | Australian Journal of Chemistry | 1979 |
| 13C n.m.r. spectra of steroids —a survey and commentary | Organic Magnetic Resonance | 1977 |
This compound is available in the following databases:
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.
KnowItAll Mass Spectral Library
Author: Wiley
The KnowItAll Mass Spectral Library offers a comprehensive collection of mass spectra, including the renowned Wiley Registry, and access to a wide range of compounds including pure organics, drugs, steroids, additives, geochemicals, petrochemicals, biomarkers, and more. Learn more.