| SpectraBase Compound ID | 6UTKHqcw7Sl |
|---|---|
| InChI | InChI=1S/C27H30O3/c1-27-13-12-23-22-11-9-21(30-17-29-2)15-19(22)8-10-24(23)25(27)16-20(26(27)28)14-18-6-4-3-5-7-18/h3-7,9,11,14-15,23-25H,8,10,12-13,16-17H2,1-2H3/b20-14+/t23-,24-,25+,27+/m1/s1 |
| InChIKey | NJQKGKODJPWALU-XQYBTJERSA-N |
| Mol Weight | 402.53 g/mol |
| Molecular Formula | C27H30O3 |
| Exact Mass | 402.219495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3uHsmeZhGqa |
|---|---|
| Name | (16E)-16-BENZYLIDENE-3-(METHOXYMETHOXY)-ESTRA-1(10),2,4-TRIEN-17-ONE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H30O3 |
| InChI | InChI=1S/C27H30O3/c1-27-13-12-23-22-11-9-21(30-17-29-2)15-19(22)8-10-24(23)25(27)16-20(26(27)28)14-18-6-4-3-5-7-18/h3-7,9,11,14-15,23-25H,8,10,12-13,16-17H2,1-2H3/b20-14+/t23-,24-,25+,27+/m1/s1 |
| InChIKey | NJQKGKODJPWALU-XQYBTJERSA-N |
| Literature Reference Author | R.MALTAIS,D.POIRIER |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2012,5435(2012) |
| Literature Reference DOI | 10.1002/ejoc.201200852 |
| Molecular Weight | 402.533 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWLU84026 |