| SpectraBase Compound ID | Iv4crVocgZD |
|---|---|
| InChI | InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3/t19-,20-,22?,23?,24?,25?,26+,27-/m1/s1 |
| InChIKey | PESKGJQREUXSRR-RFCCVADZSA-N |
| Mol Weight | 386.7 g/mol |
| Molecular Formula | C27H46O |
| Exact Mass | 386.354866 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | FxHxJwMVy97 |
|---|---|
| Name | 5β-Cholestan-3-one |
| Source of Sample | Steraloids Inc. |
| Catalog Number | C5250-000 |
| Lot Number | L1812 |
| CAS Registry Number | 601-53-6 |
| Classification | cholesterol type |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H46O |
| InChI | InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3/t19-,20-,22?,23?,24?,25?,26+,27-/m1/s1 |
| InChIKey | PESKGJQREUXSRR-RFCCVADZSA-N |
| Instrument Name | Bio-Rad FTS |
| SMILES | C1[C@@]2(C3CC[C@@]4(C(CCC4C3CC[C@@]2(CC(C1)=O)[H])[C@@](CCCC(C)C)(C)[H])C)C |
| Scan Speed (number) | 5 |
| Source of Spectrum | Forensic Spectral Research |
| Synonyms | 3-Oxocholestanone; Coprostanone; Coprostan-3-one |
| Technique | KBr0 |