| SpectraBase Compound ID | 7mJAnGnP4gq |
|---|---|
| InChI | InChI=1S/C21H36O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h14-19,22H,4-13H2,1-3H3/t14-,15-,16-,17-,18-,19-,20+,21-/m0/s1 |
| InChIKey | CEBZORSAHLSRQW-DDYSHWNRSA-N |
| Mol Weight | 304.5 g/mol |
| Molecular Formula | C21H36O |
| Exact Mass | 304.276616 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IhAEPLw9XTw |
|---|---|
| Name | 5a-pregnan-3b-ol |
| Alternate Name(s) | (3beta,5alpha)-pregnan-3-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H36O |
| InChI | InChI=1S/C21H36O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h14-19,22H,4-13H2,1-3H3/t14-,15-,16-,17-,18-,19-,20+,21-/m0/s1 |
| InChIKey | CEBZORSAHLSRQW-DDYSHWNRSA-N |
| Molecular Weight | 304.518 g/mol |
| SMILES | O[C@]1(CC[C@@]2([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)(CC)[H])[H])([H])CC[C@]2(C1)[H])[H])C)[H] |
| SPLASH | splash10-053r-7972000000-2921d1e63dbfcc4bd81e |
| Source of Spectrum | SD-1992-0-0 |
| Wiley ID | 1307028 |