| SpectraBase Compound ID | 5QUacmrQKcm |
|---|---|
| InChI | InChI=1S/C27H48O/c1-18(2)9-8-10-19(3)25-24(28)17-23-21-13-12-20-11-6-7-15-26(20,4)22(21)14-16-27(23,25)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24+,25+,26+,27+/m1/s1 |
| InChIKey | RWZVSYKUKXKLSH-VGEHHXHLSA-N |
| Mol Weight | 388.7 g/mol |
| Molecular Formula | C27H48O |
| Exact Mass | 388.370516 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IlVPQHGWdvk |
|---|---|
| Name | Coprostan-16.beta.-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.370516165 u |
| Formula | C27H48O |
| InChI | InChI=1S/C27H48O/c1-18(2)9-8-10-19(3)25-24(28)17-23-21-13-12-20-11-6-7-15-26(20,4)22(21)14-16-27(23,25)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24+,25+,26+,27+/m1/s1 |
| InChIKey | RWZVSYKUKXKLSH-VGEHHXHLSA-N |
| Molecular Weight | 388.680 g/mol |
| SMILES | C1CC[C@@]2(C)[C@@](C1)(CC[C@]1([C@@]3(C[C@@]([C@@]([C@@]3(C)CC[C@]21[H])([C@@](CCCC(C)C)(C)[H])[H])(O)[H])[H])[H])[H] |