| SpectraBase Compound ID | 6fVKhguAals |
|---|---|
| InChI | InChI=1S/C22H35NO2/c1-13(12-24)15-6-7-16-14-4-5-18-20(23)19(25)9-11-22(18,3)17(14)8-10-21(15,16)2/h13-17,24H,4-12,23H2,1-3H3/t13-,14?,15-,16?,17?,21+,22+/m0/s1 |
| InChIKey | CISVZQXFVIQJHE-OGSHUYSASA-N |
| Mol Weight | 345.5 g/mol |
| Molecular Formula | C22H35NO2 |
| Exact Mass | 345.266779 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EkHGxKFkxTq |
|---|---|
| Name | 4-Amino-20(S)-hydroxymethylpregn-4-en-3-one (MDL19687) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H35NO2 |
| InChI | InChI=1S/C22H35NO2/c1-13(12-24)15-6-7-16-14-4-5-18-20(23)19(25)9-11-22(18,3)17(14)8-10-21(15,16)2/h13-17,24H,4-12,23H2,1-3H3/t13-,14?,15-,16?,17?,21+,22+/m0/s1 |
| InChIKey | CISVZQXFVIQJHE-OGSHUYSASA-N |
| Molecular Weight | 345.527 g/mol |
| SMILES | NC1=C2[C@@](C3CC[C@@]4([C@]([C@](CO)(C)[H])(CCC4C3CC2)[H])C)(CCC1=O)C |
| SPLASH | splash10-0udj-0009000000-8b2028c8beeb1929a8ef |
| Source of Spectrum | AT-36-4763-1 |
| Wiley ID | 853177 |