| SpectraBase Compound ID | LkNh70uExev |
|---|---|
| InChI | InChI=1S/C27H48O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25H,6-17H2,1-5H3,(H,28,29,30)/t19-,20?,21+,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | CBBTWAWCVXJVTL-UJOPKFNNSA-N |
| Mol Weight | 468.7 g/mol |
| Molecular Formula | C27H48O4S |
| Exact Mass | 468.327331 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GahZlTPeOw |
|---|---|
| Name | Dihydrocholesterol-3-sulfate in kbr |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 468.327331196 u |
| Formula | C27H48O4S |
| InChI | InChI=1S/C27H48O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25H,6-17H2,1-5H3,(H,28,29,30)/t19-,20?,21+,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | CBBTWAWCVXJVTL-UJOPKFNNSA-N |
| Molecular Weight | 468.737 g/mol |
| SMILES | OS(O[C@@]1(CC2CC[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@@]3([C@]2(CC1)C)[H])C)([C@](C)(CCCC(C)C)[H])[H])[H])[H])[H])(=O)=O |