| SpectraBase Compound ID | CS0zPzbfxdw |
|---|---|
| InChI | InChI=1S/C28H48O/c1-18(2)19(3)10-11-20(4)24-17-25(29)26-22-13-12-21-9-7-8-15-27(21,5)23(22)14-16-28(24,26)6/h18-24,26H,7-17H2,1-6H3/t19-,20+,21+,22+,23-,24+,26+,27-,28+/m0/s1 |
| InChIKey | GCXDXWNLFWCKND-AZLGSVMJSA-N |
| Mol Weight | 400.7 g/mol |
| Molecular Formula | C28H48O |
| Exact Mass | 400.370516 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 99u5vdEeCeZ |
|---|---|
| Name | 5.alpha.-Ergostan-15-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 400.370516165 u |
| Formula | C28H48O |
| InChI | InChI=1S/C28H48O/c1-18(2)19(3)10-11-20(4)24-17-25(29)26-22-13-12-21-9-7-8-15-27(21,5)23(22)14-16-28(24,26)6/h18-24,26H,7-17H2,1-6H3/t19-,20+,21+,22+,23-,24+,26+,27-,28+/m0/s1 |
| InChIKey | GCXDXWNLFWCKND-AZLGSVMJSA-N |
| Molecular Weight | 400.691 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@@]4([C@]([C@]3(CC2)[H])(C)CCCC4)[H])[H])(C(=O)C[C@@]1([C@@](CC[C@@](C(C)C)(C)[H])(C)[H])[H])[H])C |