![3.beta.-[(1-Hydroxycyclohexyl)methyl]-5.alpha.-cholestan-3-.alpha.-ol](/api/spectrum/EBsoK08sqND/structure.png?h=300&w=458 "3.beta.-[(1-Hydroxycyclohexyl)methyl]-5.alpha.-cholestan-3-.alpha.-ol")
| SpectraBase Compound ID | 9B20UV5rLRl |
|---|---|
| InChI | InChI=1S/C34H60O2/c1-24(2)10-9-11-25(3)28-14-15-29-27-13-12-26-22-34(36,23-33(35)17-7-6-8-18-33)21-20-31(26,4)30(27)16-19-32(28,29)5/h24-30,35-36H,6-23H2,1-5H3/t25-,26+,27+,28-,29+,30+,31+,32-,34-/m1/s1 |
| InChIKey | AJMZEYAEBISNKM-SRWBXIRBSA-N |
| Mol Weight | 500.9 g/mol |
| Molecular Formula | C34H60O2 |
| Exact Mass | 500.459331 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EBsoK08sqND |
|---|---|
| Name | 3.beta.-[(1-hydroxycyclohexyl)methyl]-5.alpha.-cholestan-3-.alpha.-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 500.459331170 u |
| Formula | C34H60O2 |
| InChI | InChI=1S/C34H60O2/c1-24(2)10-9-11-25(3)28-14-15-29-27-13-12-26-22-34(36,23-33(35)17-7-6-8-18-33)21-20-31(26,4)30(27)16-19-32(28,29)5/h24-30,35-36H,6-23H2,1-5H3/t25-,26+,27+,28-,29+,30+,31+,32-,34-/m1/s1 |
| InChIKey | AJMZEYAEBISNKM-SRWBXIRBSA-N |
| Molecular Weight | 500.852 g/mol |
| SMILES | [C@@]1(CC[C@]2([C@](C1)(CC[C@]1([C@@]3(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])[H])C)(O)CC1(CCCCC1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.850892 |