| SpectraBase Compound ID | CoTjjp6hU9K |
|---|---|
| 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(29-14(2)26)22(23)24-27-4/h6,8,11,18-21H,5,7,9-10,12H2,1-4H3/b24-22+ |
| InChIKey | WWJMTJRNMBJEFE-ZNTNEXAZSA-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 | DnifT6AwkzC |
|---|---|
| Name | Estra-1,3,5(10)-trien-17-one, 3,16-bis(acetyloxy)-, 17-(O-methyloxime), (16.beta.)- |
| CAS Registry Number | 69833-92-7 |
| 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(29-14(2)26)22(23)24-27-4/h6,8,11,18-21H,5,7,9-10,12H2,1-4H3/b24-22+ |
| InChIKey | WWJMTJRNMBJEFE-ZNTNEXAZSA-N |
| Molecular Weight | 399.487 g/mol |
| SMILES | CO\N=C/1C(CC2C3CCc4c(ccc(OC(C)=O)c4)C3CCC12C)OC(C)=O |
| SPLASH | splash10-05nf-3592000000-3eb1ea825346d21edae4 |
| Source of Spectrum | W5-33536-32000-32000 |
| Synonyms | 16-(Acetyloxy)-17-(methoxyimino)estra-1,3,5(10)-trien-3-yl acetate Acetic acid [(17Z)-3-acetyloxy-17-methoxyimino-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl] ester [(17Z)-3-acetyloxy-17-methoxyimino-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl] acetate [(17Z)-3-acetoxy-17-methoxyimino-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl] acetate [(17Z)-3-acetyloxy-17-methoxyimino-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl] ethanoate |
| Wiley ID | 1369026 |