| SpectraBase Compound ID | J49rqGf58cj |
|---|---|
| InChI | InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h10,17-22,24-25,28-29H,6-9,11-16H2,1-5H3/t18-,19+,20-,21+,22+,24+,25-,26-,27-/m1/s1 |
| InChIKey | CZDKQKOAHAICSF-JSAMMMMSSA-N |
| Mol Weight | 402.7 g/mol |
| Molecular Formula | C27H46O2 |
| Exact Mass | 402.349781 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | jJkshqpWzy |
|---|---|
| Name | 4β-Hydroxycholesterol |
| Source of Sample | Cayman Chemical Company |
| Catalog Number | 19518 |
| Lot Number | 0483102-1 |
| Accessory | DurasamplIR II |
| CAS Registry Number | 17320-10-4 |
| Copyright | Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H46O2 |
| IUPAC Name | Cholest-5-ene-3β,4β-diol |
| InChI | InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h10,17-22,24-25,28-29H,6-9,11-16H2,1-5H3/t18-,19+,20-,21+,22+,24+,25-,26-,27-/m1/s1 |
| InChIKey | CZDKQKOAHAICSF-JSAMMMMSSA-N |
| Instrument Name | Bio-Rad FTS |
| Molecular Weight | 402.663 g/mol |
| SMILES | O[C@]1([C@](CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(C\C=C\12)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])C)(O)[H])[H] |
| Source of Spectrum | Forensic Spectral Research |
| Synonyms | 5-Cholesten-3ß,4ß-diol |
| Technique | ATR-Neat |