| SpectraBase Compound ID | GwhWzYmphV0 |
|---|---|
| InChI | InChI=1S/C27H44O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h6-7,18,20-25,28-29H,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1 |
| InChIKey | DJZMVDQAHDXJDB-GFKLAVDKSA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C27H44O2 |
| Exact Mass | 400.334131 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6HkdclJzxGP |
|---|---|
| Name | (3Beta,22R)-cholesta-5,24-diene-3,22-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 400.334130655 u |
| Formula | C27H44O2 |
| InChI | InChI=1S/C27H44O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h6-7,18,20-25,28-29H,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1 |
| InChIKey | DJZMVDQAHDXJDB-GFKLAVDKSA-N |
| Molecular Weight | 400.647 g/mol |
| SMILES | [C@]1(CC[C@]2(C(C1)=CC[C@]1([C@@]3(CC[C@]([C@@]([C@@](CC=C(C)C)(O)[H])(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])C)(O)[H] |