| SpectraBase Compound ID | IVlZ7FE8w6P |
|---|---|
| InChI | InChI=1S/C29H51NO/c1-7-30-27(19(2)3)13-8-20(4)24-11-12-25-23-10-9-21-18-22(31)14-16-28(21,5)26(23)15-17-29(24,25)6/h9,19-20,22-27,30-31H,7-8,10-18H2,1-6H3/t20-,22+,23+,24-,25+,26+,27?,28+,29-/m1/s1 |
| InChIKey | METLADFEAQEOJV-LPFMPMKMSA-N |
| Mol Weight | 429.7 g/mol |
| Molecular Formula | C29H51NO |
| Exact Mass | 429.397065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HNKkBaAcD1e |
|---|---|
| Name | Cholest-5-en-3-ol, 24-(ethylamino)-, (3.beta.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 429.397065265 u |
| Formula | C29H51NO |
| InChI | InChI=1S/C29H51NO/c1-7-30-27(19(2)3)13-8-20(4)24-11-12-25-23-10-9-21-18-22(31)14-16-28(21,5)26(23)15-17-29(24,25)6/h9,19-20,22-27,30-31H,7-8,10-18H2,1-6H3/t20-,22+,23+,24-,25+,26+,27?,28+,29-/m1/s1 |
| InChIKey | METLADFEAQEOJV-LPFMPMKMSA-N |
| Molecular Weight | 429.733 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](O)(C4)[H])C)[H])(CC[C@@]1([C@@](CCC(NCC)C(C)C)(C)[H])[H])[H])C |