| SpectraBase Compound ID | J6AUnNwMdNg |
|---|---|
| InChI | InChI=1S/C21H25ClO4/c1-11(23)26-18-5-4-13-19-14(6-7-20(13,18)2)21(3)10-17(25)15(22)8-12(21)9-16(19)24/h8-9,13-14,18-19H,4-7,10H2,1-3H3 |
| InChIKey | DFVYOFDSPWXEIC-UHFFFAOYSA-N |
| Mol Weight | 376.88 g/mol |
| Molecular Formula | C21H25ClO4 |
| Exact Mass | 376.144137 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BDnE10zsfCv |
|---|---|
| Name | Androsta-3,5-diene-2,7-dione, 3-chloro-17.beta.-hydroxy-, acetate |
| Alternate Name(s) | 3-Chloro-2,7-dioxoandrosta-3,5-dien-17-yl acetate (3-chloro-10,13-dimethyl-2,7-dioxo-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate Acetic acid (3-chloro-10,13-dimethyl-2,7-dioxo-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl) ester Acetic acid (3-chloro-2,7-diketo-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl) ester |
| CAS Registry Number | 14962-87-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H25ClO4 |
| InChI | InChI=1S/C21H25ClO4/c1-11(23)26-18-5-4-13-19-14(6-7-20(13,18)2)21(3)10-17(25)15(22)8-12(21)9-16(19)24/h8-9,13-14,18-19H,4-7,10H2,1-3H3 |
| InChIKey | DFVYOFDSPWXEIC-UHFFFAOYSA-N |
| Molecular Weight | 376.880 g/mol |
| SMILES | C1(=O)C2C(C3(C(=C1)C=C(Cl)C(C3)=O)C)CCC1(C2CCC1OC(C)=O)C |
| SPLASH | splash10-002f-9477000000-5a62c15b3566b4e40f69 |
| Source of Spectrum | AD-0-3112-0 |
| Wiley ID | 54978 |