| SpectraBase Compound ID | 6HZFjgf1kdG |
|---|---|
| InChI | InChI=1S/C22H27ClO3/c1-13(25)26-20-7-6-17-16-5-4-15-10-19(23)14(12-24)11-22(15,3)18(16)8-9-21(17,20)2/h4-5,10,12,16-18,20H,6-9,11H2,1-3H3 |
| InChIKey | WGBJULOFBYFINX-UHFFFAOYSA-N |
| Mol Weight | 374.91 g/mol |
| Molecular Formula | C22H27ClO3 |
| Exact Mass | 374.164872 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8Njllwd3XQX |
|---|---|
| Name | Androsta-2,4,6-triene-2-carboxaldehyde, 3-chloro-17.beta.-hydroxy-, acetate |
| CAS Registry Number | 19669-93-3 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H27ClO3 |
| InChI | InChI=1S/C22H27ClO3/c1-13(25)26-20-7-6-17-16-5-4-15-10-19(23)14(12-24)11-22(15,3)18(16)8-9-21(17,20)2/h4-5,10,12,16-18,20H,6-9,11H2,1-3H3 |
| InChIKey | WGBJULOFBYFINX-UHFFFAOYSA-N |
| Molecular Weight | 374.908 g/mol |
| SMILES | CC12C3C(C4C(CC3)(C)C(OC(C)=O)CC4)C=CC2=CC(=C(C1)C=O)Cl |
| SPLASH | splash10-00ai-9726000000-f7c1e7971eceb2b32b72 |
| Source of Spectrum | AD-0-3110-0 |
| Synonyms | 3-Chloro-2-formylandrosta-2,4,6-trien-17-yl acetate (3-chloranyl-2-methanoyl-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl) ethanoate (3-chloro-2-formyl-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate Acetic acid (3-chloro-2-formyl-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl) ester |
| Wiley ID | 54804 |