| SpectraBase Compound ID | KzDxXsjmX5p |
|---|---|
| InChI | InChI=1S/C23H29NO5/c1-13(25)28-15-5-6-16-17-9-10-23(3)20(7-8-22(23)29-14(2)26)18(17)12-21(24-27-4)19(16)11-15/h5-6,11,17-18,20,22H,7-10,12H2,1-4H3/b24-21+ |
| InChIKey | KBLFEOVHBHBWAK-DARPEHSRSA-N |
| Mol Weight | 399.49 g/mol |
| Molecular Formula | C23H29NO5 |
| Exact Mass | 399.204573 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ISBPfmcy5dP |
|---|---|
| Name | Estra-1,3,5(10)-trien-6-one, 3,17-bis(acetyloxy)-, 6-(O-methyloxime), (17.beta.)- |
| CAS Registry Number | 69833-93-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H29NO5 |
| InChI | InChI=1S/C23H29NO5/c1-13(25)28-15-5-6-16-17-9-10-23(3)20(7-8-22(23)29-14(2)26)18(17)12-21(24-27-4)19(16)11-15/h5-6,11,17-18,20,22H,7-10,12H2,1-4H3/b24-21+ |
| InChIKey | KBLFEOVHBHBWAK-DARPEHSRSA-N |
| Molecular Weight | 399.487 g/mol |
| SMILES | CO\N=C/1CC2C(CCC3(C)C(CCC23)OC(C)=O)c2c1cc(OC(C)=O)cc2 |
| SPLASH | splash10-0a4l-6669000000-ec2efec6203cf1cab401 |
| Source of Spectrum | W5-33537-31999-31999 |
| Synonyms | 17-(Acetyloxy)-6-(methoxyimino)estra-1,3,5(10)-trien-3-yl acetate Acetic acid [(6E)-3-acetyloxy-6-methoxyimino-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl] ester [(6E)-3-acetyloxy-6-methoxyimino-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl] acetate [(6E)-3-acetoxy-6-methoxyimino-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl] acetate [(6E)-3-acetyloxy-6-methoxyimino-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl] ethanoate |
| Wiley ID | 1369025 |