| SpectraBase Compound ID | AwBcbqNgu2E |
|---|---|
| InChI | InChI=1S/C21H29ClO2/c1-12(23)14-6-7-15-13-4-5-17-19(22)18(24)9-11-21(17,3)16(13)8-10-20(14,15)2/h13-16H,4-11H2,1-3H3 |
| InChIKey | MSWUPHPHYAFBLX-UHFFFAOYSA-N |
| Mol Weight | 348.91 g/mol |
| Molecular Formula | C21H29ClO2 |
| Exact Mass | 348.185608 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 86vqs2iSQDS |
|---|---|
| Name | Pregn-4-ene-3,20-dione, 4-chloro- |
| Alternate Name(s) | 17-acetyl-4-chloro-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 4-Chlor-progesterone 4-Chloranyl-17-ethanoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 4-Chloropregn-4-ene-3,20-dione BRN 3105722 NSC 18308 |
| CAS Registry Number | 1164-81-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H29ClO2 |
| InChI | InChI=1S/C21H29ClO2/c1-12(23)14-6-7-15-13-4-5-17-19(22)18(24)9-11-21(17,3)16(13)8-10-20(14,15)2/h13-16H,4-11H2,1-3H3 |
| InChIKey | MSWUPHPHYAFBLX-UHFFFAOYSA-N |
| Molecular Weight | 348.914 g/mol |
| SMILES | CC12C3C(C4C(C)(C(C(C)=O)CC4)CC3)CCC1=C(Cl)C(=O)CC2 |
| SPLASH | splash10-01ox-9713000000-b3e556e19c12de0fea0f |
| Source of Spectrum | EP-1341-0-0 |
| Wiley ID | 1340794 |