| SpectraBase Compound ID | EkXMhLY36h9 |
|---|---|
| InChI | InChI=1S/C29H49NO2/c1-18-6-11-27(30-17-18)19(2)24-9-10-25-23-8-7-21-16-22(32-20(3)31)12-14-28(21,4)26(23)13-15-29(24,25)5/h18-19,21-27,30H,6-17H2,1-5H3/t18?,19-,21-,22-,23-,24+,25-,26-,27?,28-,29+/m0/s1 |
| InChIKey | UCXUYKIGZCHXTJ-WTZMFWLBSA-N |
| Mol Weight | 443.7 g/mol |
| Molecular Formula | C29H49NO2 |
| Exact Mass | 443.37633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HoMrSoiVTLn |
|---|---|
| Name | 22,26-Epimino-3.beta.-acetoxy-5.alpha.-cholestane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 443.376329820 u |
| Formula | C29H49NO2 |
| InChI | InChI=1S/C29H49NO2/c1-18-6-11-27(30-17-18)19(2)24-9-10-25-23-8-7-21-16-22(32-20(3)31)12-14-28(21,4)26(23)13-15-29(24,25)5/h18-19,21-27,30H,6-17H2,1-5H3/t18?,19-,21-,22-,23-,24+,25-,26-,27?,28-,29+/m0/s1 |
| InChIKey | UCXUYKIGZCHXTJ-WTZMFWLBSA-N |
| Molecular Weight | 443.716 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])[H])(CC[C@@]1([C@@](C1NCC(CC1)C)(C)[H])[H])[H])C |