| SpectraBase Compound ID | 22UkGmzhcz3 |
|---|---|
| InChI | InChI=1S/C27H31NO5/c1-16-14-24-23-10-6-18-15-20(32-3)9-11-21(18)22(23)12-13-27(24,2)25(16)33-26(29)17-4-7-19(8-5-17)28(30)31/h4-5,7-9,11,15-16,22-25H,6,10,12-14H2,1-3H3/t16-,22+,23+,24-,25+,27-/m0/s1 |
| InChIKey | FRUQEERHNZPSMT-STEQTRACSA-N |
| Mol Weight | 449.55 g/mol |
| Molecular Formula | C27H31NO5 |
| Exact Mass | 449.220223 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FR8i3Yccr5j |
|---|---|
| Name | 16-BETA-METHYL-3-METHOXYESTRA-1,3,5(10)-TRIEN-17-ALPHA-YL-(4-NITROBENZOATE) |
| Compound Number | 6A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H31NO5 |
| InChI | InChI=1S/C27H31NO5/c1-16-14-24-23-10-6-18-15-20(32-3)9-11-21(18)22(23)12-13-27(24,2)25(16)33-26(29)17-4-7-19(8-5-17)28(30)31/h4-5,7-9,11,15-16,22-25H,6,10,12-14H2,1-3H3/t16-,22+,23+,24-,25+,27-/m0/s1 |
| InChIKey | FRUQEERHNZPSMT-STEQTRACSA-N |
| Literature Reference Author | P.TAPOLCSANYI,J.WOELFLING,E.MERNYAK,G.SCHNEIDER |
| Literature Reference Citation | MH.CHEM.,135,1129(2004) |
| Molecular Weight | 449.547 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ11965 |