| SpectraBase Compound ID | 4tjmlzmnUDX |
|---|---|
| InChI | InChI=1S/C32H54O2/c1-21(2)10-9-11-22(3)26-14-15-27-25-13-12-23-20-24(34-29(33)30(4,5)6)16-18-31(23,7)28(25)17-19-32(26,27)8/h12,21-22,24-28H,9-11,13-20H2,1-8H3/t22?,24-,25-,26+,27-,28?,31-,32+/m0/s1 |
| InChIKey | MVPULBXRVIPBET-WZFYCZTKSA-N |
| Mol Weight | 470.8 g/mol |
| Molecular Formula | C32H54O2 |
| Exact Mass | 470.412381 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6CzMF6WrhzK |
|---|---|
| Name | Cholesteryl trimethyl acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 470.412380977 u |
| Formula | C32H54O2 |
| InChI | InChI=1S/C32H54O2/c1-21(2)10-9-11-22(3)26-14-15-27-25-13-12-23-20-24(34-29(33)30(4,5)6)16-18-31(23,7)28(25)17-19-32(26,27)8/h12,21-22,24-28H,9-11,13-20H2,1-8H3/t22?,24-,25-,26+,27-,28?,31-,32+/m0/s1 |
| InChIKey | MVPULBXRVIPBET-WZFYCZTKSA-N |
| Molecular Weight | 470.782 g/mol |
| SMILES | [C@@]12([C@]3([C@@]([C@](CC3)(C(CCCC(C)C)C)[H])(CCC1[C@@]1(C(=CC2)C[C@](CC1)(OC(C(C)(C)C)=O)[H])C)C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95487 |