| SpectraBase Compound ID | K23DL9h1gRE |
|---|---|
| InChI | InChI=1S/C24H35ClO3/c1-14(22(25)27)19-7-8-20-18-6-5-16-13-17(28-15(2)26)9-11-23(16,3)21(18)10-12-24(19,20)4/h5,14,17-21H,6-13H2,1-4H3 |
| InChIKey | VSLNHZAAZQSWON-UHFFFAOYSA-N |
| Mol Weight | 407.0 g/mol |
| Molecular Formula | C24H35ClO3 |
| Exact Mass | 406.227473 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3nbHBEmO7js |
|---|---|
| Name | Pregn-5-ene-20-carbonyl chloride, 3-(acetyloxy)-, (3.beta.)- |
| CAS Registry Number | 55103-88-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H35ClO3 |
| InChI | InChI=1S/C24H35ClO3/c1-14(22(25)27)19-7-8-20-18-6-5-16-13-17(28-15(2)26)9-11-23(16,3)21(18)10-12-24(19,20)4/h5,14,17-21H,6-13H2,1-4H3 |
| InChIKey | VSLNHZAAZQSWON-UHFFFAOYSA-N |
| Molecular Weight | 406.994 g/mol |
| SMILES | CC12C(C3C(CC2)C2(C)C(=CC3)CC(CC2)OC(C)=O)CCC1C(C(Cl)=O)C |
| SPLASH | splash10-06ry-6922000000-8e008f918927e1eeca4e |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | Acetic acid [17-(1-chloro-1-oxopropan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [17-(1-chloro-1-oxopropan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [17-(2-chloro-1-methyl-2-oxo-ethyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [17-(1-chloranyl-1-oxidanylidene-propan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 1372266 |