| SpectraBase Compound ID | 3F0iAsVZG3O |
|---|---|
| InChI | InChI=1S/C27H44O3/c1-16-5-8-24(30-15-16)17(2)25-23(29)14-22-20-7-6-18-13-19(28)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,28-29H,5,7-15H2,1-4H3/t16?,17-,19+,20-,21+,22+,23-,24?,25+,26+,27+/m1/s1 |
| InChIKey | LZFULILWRHMTTR-TZAPILCOSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C27H44O3 |
| Exact Mass | 416.329045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | wnJ0dCmoRM |
|---|---|
| Name | 22(26)-Oxido-17-isocholest-5-en-3.beta,16.alpha-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 416.329045274 u |
| Formula | C27H44O3 |
| InChI | InChI=1S/C27H44O3/c1-16-5-8-24(30-15-16)17(2)25-23(29)14-22-20-7-6-18-13-19(28)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,28-29H,5,7-15H2,1-4H3/t16?,17-,19+,20-,21+,22+,23-,24?,25+,26+,27+/m1/s1 |
| InChIKey | LZFULILWRHMTTR-TZAPILCOSA-N |
| Molecular Weight | 416.646 g/mol |
| SMILES | [C@]1(CC[C@]2(C(C1)=CC[C@@]1([C@@]2(CC[C@]2([C@]1(C[C@]([C@@]2([C@](C)(C1CCC(CO1)C)[H])[H])(O)[H])[H])C)[H])[H])C)(O)[H] |