| SpectraBase Compound ID | 1VvMorBoquA |
|---|---|
| InChI | InChI=1S/C24H40O4.Na/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3;/h14-21,25-26H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1/t14?,15-,16-,17?,18?,19?,20?,21+,23+,24-;/m1./s1 |
| InChIKey | FHHPUSMSKHSNKW-YDINUCSNSA-M |
| Mol Weight | 414.6 g/mol |
| Molecular Formula | C24H39NaO4 |
| Exact Mass | 414.274604 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | Ii1a8nBVSSn |
|---|---|
| Name | 5β-Cholanic acid-3α,12α-diol sodium salt |
| Source of Sample | Steraloids Inc. |
| Catalog Number | C1150-000 |
| Lot Number | H763 |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H39NaO4 |
| InChI | InChI=1S/C24H40O4.Na/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3;/h14-21,25-26H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1/t14?,15-,16-,17?,18?,19?,20?,21+,23+,24-;/m1./s1 |
| InChIKey | FHHPUSMSKHSNKW-YDINUCSNSA-M |
| Instrument Name | Bio-Rad FTS |
| Molecular Weight | 414.562 g/mol |
| SMILES | [Na+].O[C@]1(C[C@]2(CCC3C4CCC([C@]4([C@](CC3[C@]2(CC1)C)(O)[H])C)C(CCC([O-])=O)C)[H])[H] |
| Source of Spectrum | Forensic Spectral Research |
| Synonyms | Deoxycholic acid sodium salt; Sodium deoxycholate |
| Technique | KBr0 |