| SpectraBase Compound ID | 4urER05RcBE |
|---|---|
| InChI | InChI=1S/C19H27ClO2/c1-18-10-8-15(21)17(20)14(18)4-3-11-12-5-6-16(22)19(12,2)9-7-13(11)18/h11-13,16,22H,3-10H2,1-2H3/t11-,12-,13-,16-,18+,19-/m0/s1 |
| InChIKey | KCZCIYZKSLLNNH-FBPKJDBXSA-N |
| Mol Weight | 322.88 g/mol |
| Molecular Formula | C19H27ClO2 |
| Exact Mass | 322.169958 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | C6kS1D4QG7V |
|---|---|
| Name | Clostebol |
| Catalog Number | 21168 |
| CAS Registry Number | 1093-58-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H27ClO2 |
| InChI | InChI=1S/C19H27ClO2/c1-18-10-8-15(21)17(20)14(18)4-3-11-12-5-6-16(22)19(12,2)9-7-13(11)18/h11-13,16,22H,3-10H2,1-2H3/t11-,12-,13-,16-,18+,19-/m0/s1 |
| InChIKey | KCZCIYZKSLLNNH-FBPKJDBXSA-N |
| Molecular Weight | 322.876 g/mol |
| SMILES | O[C@]1(CC[C@]2([C@@]3(CCC4=C(C(CC[C@@]4([C@]3(CC[C@]12C)[H])C)=O)Cl)[H])[H])[H] |
| SPLASH | splash10-0a73-5930000000-b863156b39359c2655b2 |
| Source of Spectrum | CAY-2023-517-0 |
| Wiley ID | 1888478 |