![(16-BETA,17-BETA)-16-[(S)-(BUTYLAMINO)-(PHENYL)-METHYL]-3-(METHOXYMETHOXY)-ESTRA-1,3,5(10)-TRIENE-16,17-DIOL](/api/spectrum/7WTAJA3WJNa/structure.png?h=300&w=458 "(16-BETA,17-BETA)-16-[(S)-(BUTYLAMINO)-(PHENYL)-METHYL]-3-(METHOXYMETHOXY)-ESTRA-1,3,5(10)-TRIENE-16,17-DIOL")
| SpectraBase Compound ID | FO0VCuq3scL |
|---|---|
| InChI | InChI=1S/C31H43NO4/c1-4-5-17-32-28(21-9-7-6-8-10-21)31(34)19-27-26-13-11-22-18-23(36-20-35-3)12-14-24(22)25(26)15-16-30(27,2)29(31)33/h6-10,12,14,18,25-29,32-34H,4-5,11,13,15-17,19-20H2,1-3H3/t25-,26-,27+,28+,29-,30+,31+/m1/s1 |
| InChIKey | BDUXFYAVCVOCHP-YCJSCRBWSA-N |
| Mol Weight | 493.7 g/mol |
| Molecular Formula | C31H43NO4 |
| Exact Mass | 493.319209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7WTAJA3WJNa |
|---|---|
| Name | (16-BETA,17-BETA)-16-[(S)-(BUTYLAMINO)-(PHENYL)-METHYL]-3-(METHOXYMETHOXY)-ESTRA-1,3,5(10)-TRIENE-16,17-DIOL |
| Compound Number | 8A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H43NO4 |
| InChI | InChI=1S/C31H43NO4/c1-4-5-17-32-28(21-9-7-6-8-10-21)31(34)19-27-26-13-11-22-18-23(36-20-35-3)12-14-24(22)25(26)15-16-30(27,2)29(31)33/h6-10,12,14,18,25-29,32-34H,4-5,11,13,15-17,19-20H2,1-3H3/t25-,26-,27+,28+,29-,30+,31+/m1/s1 |
| InChIKey | BDUXFYAVCVOCHP-YCJSCRBWSA-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 | 493.687 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWLU84030 |