| SpectraBase Compound ID | 4hlPfMhVOrc |
|---|---|
| InChI | InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 |
| InChIKey | VOXZDWNPVJITMN-ZBRFXRBCSA-N |
| Mol Weight | 272.39 g/mol |
| Molecular Formula | C18H24O2 |
| Exact Mass | 272.17763 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2NggfDyahgL |
|---|---|
| Name | 17.beta.-Estradiol |
| Catalog Number | ISO00155 |
| CAS Registry Number | 50-28-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H24O2 |
| InChI | InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 |
| InChIKey | VOXZDWNPVJITMN-ZBRFXRBCSA-N |
| Molecular Weight | 272.388 g/mol |
| SMILES | O[C@]1(CC[C@@]2([C@@]1(CC[C@]1([C@]2(CCc2c1ccc(c2)O)[H])[H])C)[H])[H] |
| SPLASH | splash10-0229-2930000000-a7a97a358acf3db0604f |
| Source of Spectrum | CAY-2023-158-0 |
| Synonyms | .beta.-Estradiol Estradiol 17.beta.-Oestradiol E2 |
| Wiley ID | 1888124 |