| SpectraBase Compound ID | K0rSNMebsTe |
|---|---|
| InChI | InChI=1S/C27H46O/c1-19(2)8-7-9-20(3)23-13-14-24-22-12-11-21-10-5-6-16-27(21,18-28)25(22)15-17-26(23,24)4/h6,16,19-25,28H,5,7-15,17-18H2,1-4H3/t20-,21-,22+,23-,24+,25+,26-,27-/m1/s1 |
| InChIKey | YRPGBZLPPVGHIB-QAVUEOQPSA-N |
| Mol Weight | 386.7 g/mol |
| Molecular Formula | C27H46O |
| Exact Mass | 386.354866 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5NdxSBG0GHj |
|---|---|
| Name | Cholest-1-en-19-ol, (5.alpha.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.354866100 u |
| Formula | C27H46O |
| InChI | InChI=1S/C27H46O/c1-19(2)8-7-9-20(3)23-13-14-24-22-12-11-21-10-5-6-16-27(21,18-28)25(22)15-17-26(23,24)4/h6,16,19-25,28H,5,7-15,17-18H2,1-4H3/t20-,21-,22+,23-,24+,25+,26-,27-/m1/s1 |
| InChIKey | YRPGBZLPPVGHIB-QAVUEOQPSA-N |
| Molecular Weight | 386.664 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(C=CCC4)CO)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |