| SpectraBase Compound ID | 2i4q6NBU1vN |
|---|---|
| InChI | InChI=1S/C24H28O2Se/c1-24-14-13-17-16-9-11-21(26-27)23(15-5-3-2-4-6-15)19(16)8-7-18(17)20(24)10-12-22(24)25/h2-6,9,11,17-18,20,22,25,27H,7-8,10,12-14H2,1H3/t17-,18-,20+,22+,24+/m1/s1 |
| InChIKey | NBQTZULQRCVTTL-STDWZSPESA-N |
| Mol Weight | 427.46 g/mol |
| Molecular Formula | C24H28O2Se |
| Exact Mass | 428.125452 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JSvl7od730v |
|---|---|
| Name | 4-Phenylselenenylestradiol |
| Alternate Name(s) | (17beta)-4-phenyl-3-(selanyloxy)estra-1,3,5(10)-trien-17-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H28O2Se |
| InChI | InChI=1S/C24H28O2Se/c1-24-14-13-17-16-9-11-21(26-27)23(15-5-3-2-4-6-15)19(16)8-7-18(17)20(24)10-12-22(24)25/h2-6,9,11,17-18,20,22,25,27H,7-8,10,12-14H2,1H3/t17-,18-,20+,22+,24+/m1/s1 |
| InChIKey | NBQTZULQRCVTTL-STDWZSPESA-N |
| Molecular Weight | 427.458 g/mol |
| SMILES | O[C@]1(CC[C@@]2([C@@]1(CC[C@@]1(c3c(c(c(O[SeH])cc3)-c3ccccc3)CC[C@@]21[H])[H])C)[H])[H] |
| SPLASH | splash10-056r-0400900000-cc3d714349311a9145bd |
| Source of Spectrum | KC-1991-270-0 |
| Wiley ID | 1380721 |