| SpectraBase Compound ID | 1rWFFgXkfox |
|---|---|
| InChI | InChI=1S/C21H34/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h10,15-16,18-19H,4-9,11-14H2,1-3H3/t15-,16-,18-,19-,20-,21+/m0/s1 |
| InChIKey | IBFNSLRGYGHZPQ-RRPFGEQOSA-N |
| Mol Weight | 286.5 g/mol |
| Molecular Formula | C21H34 |
| Exact Mass | 286.266051 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AHZNtI7WDue |
|---|---|
| Name | Pregn-7-ene, (5.beta.)- |
| CAS Registry Number | 63518-62-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H34 |
| InChI | InChI=1S/C21H34/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h10,15-16,18-19H,4-9,11-14H2,1-3H3/t15-,16-,18-,19-,20-,21+/m0/s1 |
| InChIKey | IBFNSLRGYGHZPQ-RRPFGEQOSA-N |
| Molecular Weight | 286.503 g/mol |
| SMILES | C1=2[C@]3([C@]([C@@](CC)(CC3)[H])(C)CC[C@@]1([C@@]1(C)CCCC[C@]1(CC2)[H])[H])[H] |
| SPLASH | splash10-01w3-0980000000-b27544c76af32686825e |
| Source of Spectrum | C-99-3435-1 |
| Synonyms | (5beta)-pregn-7-ene 5.beta.-pregn-7-ene |
| Wiley ID | 1290511 |