| SpectraBase Compound ID | 7JJ79ILwUWZ |
|---|---|
| InChI | InChI=1S/C29H51NO/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(31)30-18-17-29(25,7)24(21)15-16-28(22,23)6/h19-25H,8-18H2,1-7H3,(H,30,31)/t20-,21+,22-,23+,24+,25+,28-,29-/m1/s1 |
| InChIKey | HLHYOFYOJSVQIO-YLFAAKNDSA-N |
| Mol Weight | 429.7 g/mol |
| Molecular Formula | C29H51NO |
| Exact Mass | 429.397065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FIXwExP8bxS |
|---|---|
| Name | 3-aza-A-Homocholestan-4-one, 4A,4A-dimethyl-, (5.alpha.)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 429.397065265 u |
| Formula | C29H51NO |
| InChI | InChI=1S/C29H51NO/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(31)30-18-17-29(25,7)24(21)15-16-28(22,23)6/h19-25H,8-18H2,1-7H3,(H,30,31)/t20-,21+,22-,23+,24+,25+,28-,29-/m1/s1 |
| InChIKey | HLHYOFYOJSVQIO-YLFAAKNDSA-N |
| Molecular Weight | 429.733 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CCNC(C4(C)C)=O)C)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.818834 |