| SpectraBase Compound ID | BZ0KlpqtTBC |
|---|---|
| InChI | InChI=1S/C25H40O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h16-17,19-22H,5-15H2,1-4H3/t16-,17+,19+,20?,21?,22?,24+,25-/m1/s1 |
| InChIKey | SRLWMUQGWKOYLX-MNRZSCCKSA-N |
| Mol Weight | 388.6 g/mol |
| Molecular Formula | C25H40O3 |
| Exact Mass | 388.297745 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7YWjcbbJb2h |
|---|---|
| Name | Methyl trisnor-5.alpha.-cholestan-3-on-24-oate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.297745145 u |
| Formula | C25H40O3 |
| InChI | InChI=1S/C25H40O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h16-17,19-22H,5-15H2,1-4H3/t16-,17+,19+,20?,21?,22?,24+,25-/m1/s1 |
| InChIKey | SRLWMUQGWKOYLX-MNRZSCCKSA-N |
| Molecular Weight | 388.592 g/mol |
| SMILES | [C@@]12(C([C@@]3(CC[C@@]4([C@@](C3CC2)(CCC(=O)C4)C)[H])[H])CCC1[C@@](CCC(=O)OC)(C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965684 |