| SpectraBase Compound ID | KTrsDKIM2du |
|---|---|
| InChI | InChI=1S/C32H52O3/c1-21(20-35-29(34)30(3,4)5)9-8-10-22(2)26-13-14-27-25-12-11-23-19-24(33)15-17-31(23,6)28(25)16-18-32(26,27)7/h19,21-22,25-28H,8-18,20H2,1-7H3/t21-,22+,25-,26+,27-,28-,31-,32+/m0/s1 |
| InChIKey | UVLPYHIMKHRVBW-MFTAMUQBSA-N |
| Mol Weight | 484.8 g/mol |
| Molecular Formula | C32H52O3 |
| Exact Mass | 484.391646 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ja0npqEBFi |
|---|---|
| Name | 26-(Pivaloyloxy)cholest-4-en-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 484.391645531 u |
| Formula | C32H52O3 |
| InChI | InChI=1S/C32H52O3/c1-21(20-35-29(34)30(3,4)5)9-8-10-22(2)26-13-14-27-25-12-11-23-19-24(33)15-17-31(23,6)28(25)16-18-32(26,27)7/h19,21-22,25-28H,8-18,20H2,1-7H3/t21-,22+,25-,26+,27-,28-,31-,32+/m0/s1 |
| InChIKey | UVLPYHIMKHRVBW-MFTAMUQBSA-N |
| Molecular Weight | 484.765 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])(CC[C@@]1([C@@](CCC[C@@](COC(C(C)(C)C)=O)(C)[H])(C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971082 |