| SpectraBase Compound ID | Hthmhu7Fds5 |
|---|---|
| InChI | InChI=1S/C27H46O/c1-18(2)25(28)14-9-19(3)22-12-13-23-21-11-10-20-8-6-7-16-26(20,4)24(21)15-17-27(22,23)5/h18-24H,6-17H2,1-5H3/t19-,20?,21+,22-,23+,24+,26+,27-/m1/s1 |
| InChIKey | VUPAQVVEERNKQJ-WOEDOHCHSA-N |
| Mol Weight | 386.7 g/mol |
| Molecular Formula | C27H46O |
| Exact Mass | 386.354866 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | 1BeSYaLvuhO |
|---|---|
| Name | Cholestanone |
| Source of Sample | Cayman Chemical Company |
| Catalog Number | 25713 |
| Lot Number | 0623161-10 |
| Accessory | DurasamplIR II |
| CAS Registry Number | 601-57-0 |
| Copyright | Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.354866100 u |
| Formula | C27H46O |
| InChI | InChI=1S/C27H46O/c1-18(2)25(28)14-9-19(3)22-12-13-23-21-11-10-20-8-6-7-16-26(20,4)24(21)15-17-27(22,23)5/h18-24H,6-17H2,1-5H3/t19-,20?,21+,22-,23+,24+,26+,27-/m1/s1 |
| InChIKey | VUPAQVVEERNKQJ-WOEDOHCHSA-N |
| Instrument Name | Bio-Rad FTS |
| Molecular Weight | 386.664 g/mol |
| Purity | ≥95% |
| Resolution | 4 |
| SMILES | CC(C(CC[C@]([C@]1(CC[C@]2([C@]3([C@](CC[C@]12C)([C@]1(CCCCC1CC3)C)[H])[H])[H])[H])(C)[H])=O)C |
| Scan Speed (number) | 5 |
| Source of Spectrum | Forensic Spectral Research |
| Synonyms | cholest-4-en-3-one 4-Cholesten-3-one NSC 134926 NSC 63000 Δ4-Cholestenone |
| Technique | ATR-Neat |