![1-[17'-.beta.-(1-Ketoethyl).delta.5'-androsten-3'.beta.-oxymethyl]methyl-(5S)-2-pyrrolidone-5-carboxylate](/api/spectrum/3wKwymgMBGI/structure.png?h=300&w=458 "1-[17'-.beta.-(1-Ketoethyl).delta.5'-androsten-3'.beta.-oxymethyl]methyl-(5S)-2-pyrrolidone-5-carboxylate")
| SpectraBase Compound ID | 7IllU7tzkx9 |
|---|---|
| InChI | InChI=1S/C28H41NO5/c1-17(30)21-7-8-22-20-6-5-18-15-19(11-13-27(18,2)23(20)12-14-28(21,22)3)34-16-29-24(26(32)33-4)9-10-25(29)31/h5,19-24H,6-16H2,1-4H3/t19-,20-,21+,22-,23-,24-,27-,28+/m0/s1 |
| InChIKey | KPTQQSFQSYINPK-VZEBDBLRSA-N |
| Mol Weight | 471.6 g/mol |
| Molecular Formula | C28H41NO5 |
| Exact Mass | 471.298473 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3wKwymgMBGI |
|---|---|
| Name | 1-[17'-.beta.-(1-Ketoethyl).delta.5'-androsten-3'.beta.-oxymethyl]methyl-(5S)-2-pyrrolidone-5-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H41NO5 |
| InChI | InChI=1S/C28H41NO5/c1-17(30)21-7-8-22-20-6-5-18-15-19(11-13-27(18,2)23(20)12-14-28(21,22)3)34-16-29-24(26(32)33-4)9-10-25(29)31/h5,19-24H,6-16H2,1-4H3/t19-,20-,21+,22-,23-,24-,27-,28+/m0/s1 |
| InChIKey | KPTQQSFQSYINPK-VZEBDBLRSA-N |
| Molecular Weight | 471.638 g/mol |
| SMILES | [C@]1(N(C(CC1)=O)CO[C@@]1(CC2=CC[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@@]3([C@]2(CC1)C)[H])C)(C(=O)C)[H])[H])[H])[H])(C(=O)OC)[H] |
| SPLASH | splash10-052b-1970000000-d846fe94500decbb1875 |
| Source of Spectrum | KD-16-3984-13 |
| Wiley ID | 1638056 |