5Beta-cholanic acid-3alpha, 12ALPHA-diol 3-acetate methyl ester
Compound with spectra: 1 NMR, and 1 FTIR
| SpectraBase Compound ID | 261wNgZNFij |
|---|---|
| InChI | InChI=1S/C27H44O5/c1-16(6-11-25(30)31-5)21-9-10-22-20-8-7-18-14-19(32-17(2)28)12-13-26(18,3)23(20)15-24(29)27(21,22)4/h16,18-24,29H,6-15H2,1-5H3/t16-,18-,19-,20+,21-,22+,23+,24+,26+,27-/m1/s1 |
| InChIKey | FVYCOKNQUSFTBH-RFTNVYQZSA-N |
| Mol Weight | 448.6 g/mol |
| Molecular Formula | C27H44O5 |
| Exact Mass | 448.318875 g/mol |
| Enantiomer InChIKey | FVYCOKNQUSFTBH-LHHRRSFVSA-N |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2012-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Steraloids Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | C1072-000 |
| Technique | KBr0 |
- Methyl 3a-acetoxy-12a-hydroxycholanate
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.