| 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 |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 3JRQBNa5pSd |
|---|---|
| Name | 5β-Cholanic acid-3α, 12α-diol 3-acetate methyl ester |
| Source of Sample | Steraloids Inc. |
| Catalog Number | C1072-000 |
| Lot Number | G172 |
| CAS Registry Number | 27240-83-1 |
| Copyright | Copyright © 2012-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O5 |
| 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 |
| Source of Spectrum | Forensic Spectral Research |
| Synonyms | Methyl 3a-acetoxy-12a-hydroxycholanate |
| Technique | KBr0 |