| SpectraBase Compound ID | DPupFAgqCYH |
|---|---|
| InChI | InChI=1S/C23H29NO5/c1-13(25)28-16-6-8-17-15(11-16)5-7-19-18(17)9-10-23(3)20(19)12-21(24-27-4)22(23)29-14(2)26/h6,8,11,18-20,22H,5,7,9-10,12H2,1-4H3/b24-21+ |
| InChIKey | BDNBMJZAYNECFG-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 | JojIJ0x5NNg |
|---|---|
| Name | 17-(Acetyloxy)-16-(methoxyimino)estra-1(10),2,4-trien-3-yl acetate |
| CAS Registry Number | 77882-99-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H29NO5 |
| InChI | InChI=1S/C23H29NO5/c1-13(25)28-16-6-8-17-15(11-16)5-7-19-18(17)9-10-23(3)20(19)12-21(24-27-4)22(23)29-14(2)26/h6,8,11,18-20,22H,5,7,9-10,12H2,1-4H3/b24-21+ |
| InChIKey | BDNBMJZAYNECFG-DARPEHSRSA-N |
| Molecular Weight | 399.487 g/mol |
| SMILES | CO\N=C/1CC2C3CCc4c(ccc(OC(C)=O)c4)C3CCC2(C)C1OC(C)=O |
| SPLASH | splash10-08fr-1395000000-16a78facdaafd1246e1e |
| Source of Spectrum | W5-0-0-0 |
| Synonyms | Estra-1,3,5(10)-trien-16-one, 3,17-bis(acetyloxy)-, 16-(O-methyloxime), (17.beta.)- Acetic acid [(16E)-3-acetyloxy-16-methoxyimino-13-methyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ester [(16E)-3-acetyloxy-16-methoxyimino-13-methyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate [(16E)-3-acetoxy-16-methoxyimino-13-methyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate [(16E)-3-acetyloxy-16-methoxyimino-13-methyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ethanoate |
| Wiley ID | 1369031 |