| SpectraBase Compound ID | AHn4ae7Zm5s |
|---|---|
| InChI | InChI=1S/C22H30O3/c1-3-23-14-24-16-5-7-17-15(12-16)4-6-19-18(17)8-10-21(2)20(19)9-11-22(21)13-25-22/h5,7,12,18-20H,3-4,6,8-11,13-14H2,1-2H3/t18?,19?,20?,21-,22+/m0/s1 |
| InChIKey | NQXDNVWZATYAEC-PFNOACBWSA-N |
| Mol Weight | 342.48 g/mol |
| Molecular Formula | C22H30O3 |
| Exact Mass | 342.219495 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HNpkqaPoeTu |
|---|---|
| Name | 17,17'-Anhydro-3-O-ethoxymethyl-17.alpha.-hydroxymethyl-17.beta.-estradiol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H30O3 |
| InChI | InChI=1S/C22H30O3/c1-3-23-14-24-16-5-7-17-15(12-16)4-6-19-18(17)8-10-21(2)20(19)9-11-22(21)13-25-22/h5,7,12,18-20H,3-4,6,8-11,13-14H2,1-2H3/t18?,19?,20?,21-,22+/m0/s1 |
| InChIKey | NQXDNVWZATYAEC-PFNOACBWSA-N |
| Molecular Weight | 342.479 g/mol |
| SMILES | [C@]12([C@@]3(OC3)CCC1C1CCc3c(C1CC2)ccc(OCOCC)c3)C |
| SPLASH | splash10-0a4i-9000000000-bca652b5954e0e88bca1 |
| Source of Spectrum | KD-12-805-1 |
| Wiley ID | 1634318 |