| SpectraBase Compound ID | LDmPjnSl0am |
|---|---|
| InChI | InChI=1S/C28H48O2/c1-6-26(3,30)15-7-8-19(2)23-11-12-24-22-10-9-20-18-21(29)13-16-27(20,4)25(22)14-17-28(23,24)5/h9,19,21-25,29-30H,6-8,10-18H2,1-5H3/t19-,21+,22+,23-,24+,25+,26?,27+,28-/m1/s1 |
| InChIKey | YENWRWFEOYGCQR-CFJXYEPMSA-N |
| Mol Weight | 416.7 g/mol |
| Molecular Formula | C28H48O2 |
| Exact Mass | 416.365431 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jqb8ldQ7xL6 |
|---|---|
| Name | 26-Homo-25-hydroxycholesterol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 416.365430784 u |
| Formula | C28H48O2 |
| InChI | InChI=1S/C28H48O2/c1-6-26(3,30)15-7-8-19(2)23-11-12-24-22-10-9-20-18-21(29)13-16-27(20,4)25(22)14-17-28(23,24)5/h9,19,21-25,29-30H,6-8,10-18H2,1-5H3/t19-,21+,22+,23-,24+,25+,26?,27+,28-/m1/s1 |
| InChIKey | YENWRWFEOYGCQR-CFJXYEPMSA-N |
| Molecular Weight | 416.690 g/mol |
| SMILES | [C@]1(CC[C@]2(C(C1)=CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@@](CCCC(CC)(C)O)(C)[H])[H])[H])C)[H])[H])C)(O)[H] |