| SpectraBase Compound ID | 3uFvMUICfBc |
|---|---|
| InChI | InChI=1S/C29H51NO/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)30-26(31)16-18-29(25,7)24(21)15-17-28(22,23)6/h19-25H,8-18H2,1-7H3,(H,30,31)/t20?,21?,22?,23?,24?,25?,28-,29-/m0/s1 |
| InChIKey | LALGAPFGXNZGIE-HUCPIDSOSA-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 | 6KZSF1ss9B1 |
|---|---|
| Name | 4-aza-A-Homo-5.alpha.-cholestan-3-one, 4A,4A-dimethyl- |
| 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)30-26(31)16-18-29(25,7)24(21)15-17-28(22,23)6/h19-25H,8-18H2,1-7H3,(H,30,31)/t20?,21?,22?,23?,24?,25?,28-,29-/m0/s1 |
| InChIKey | LALGAPFGXNZGIE-HUCPIDSOSA-N |
| Molecular Weight | 429.733 g/mol |
| SMILES | [C@]12(C3C(C4CCC([C@@]4(CC3)C)C(CCCC(C)C)C)CCC2C(NC(CC1)=O)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933639 |