| SpectraBase Compound ID | 1JCw9ToLC0B |
|---|---|
| InChI | InChI=1S/C20H25NO2/c1-20-10-9-15-14-6-4-13(23-2)11-12(14)3-5-16(15)17(20)7-8-18(20)19(21)22/h4,6,8,11,15-17H,3,5,7,9-10H2,1-2H3,(H2,21,22)/t15-,16-,17+,20+/m1/s1 |
| InChIKey | BXRVZIKOPFGSLW-WWNBULGVSA-N |
| Mol Weight | 311.43 g/mol |
| Molecular Formula | C20H25NO2 |
| Exact Mass | 311.188529 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FtcqrDQRtqL |
|---|---|
| Name | 3-Methoxyestra-1,3,5(10),16-tetraene-17-carboxamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H25NO2 |
| InChI | InChI=1S/C20H25NO2/c1-20-10-9-15-14-6-4-13(23-2)11-12(14)3-5-16(15)17(20)7-8-18(20)19(21)22/h4,6,8,11,15-17H,3,5,7,9-10H2,1-2H3,(H2,21,22)/t15-,16-,17+,20+/m1/s1 |
| InChIKey | BXRVZIKOPFGSLW-WWNBULGVSA-N |
| Molecular Weight | 311.425 g/mol |
| SMILES | NC(C=1[C@@]2([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OC)c4)[H])(CC1)[H])C)=O |
| SPLASH | splash10-03di-1769000000-52e986166b437fce3245 |
| Source of Spectrum | F4-40-3042-5a |
| Wiley ID | 1671075 |