![17.beta.-[(N-amyl)propionamido]-4-methyl-4-aza-5.alpha.-androstan-3-one](/api/spectrum/8ZFsauo2SM7/structure.png?h=300&w=458 "17.beta.-[(N-amyl)propionamido]-4-methyl-4-aza-5.alpha.-androstan-3-one")
| SpectraBase Compound ID | 2t7JdEPDIaE |
|---|---|
| InChI | InChI=1S/C27H46N2O2/c1-6-7-8-9-18(2)25(31)28-22-12-11-20-19-10-13-23-27(4,17-15-24(30)29(23)5)21(19)14-16-26(20,22)3/h18-23H,6-17H2,1-5H3,(H,28,31)/t18?,19-,20-,21-,22-,23+,26-,27+/m0/s1 |
| InChIKey | MGPNZLHKKHAWQC-PFRRIYGBSA-N |
| Mol Weight | 430.7 g/mol |
| Molecular Formula | C27H46N2O2 |
| Exact Mass | 430.355929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ZFsauo2SM7 |
|---|---|
| Name | 17.beta.-[(N-amyl)propionamido]-4-methyl-4-aza-5.alpha.-androstan-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 430.355928727 u |
| Formula | C27H46N2O2 |
| InChI | InChI=1S/C27H46N2O2/c1-6-7-8-9-18(2)25(31)28-22-12-11-20-19-10-13-23-27(4,17-15-24(30)29(23)5)21(19)14-16-26(20,22)3/h18-23H,6-17H2,1-5H3,(H,28,31)/t18?,19-,20-,21-,22-,23+,26-,27+/m0/s1 |
| InChIKey | MGPNZLHKKHAWQC-PFRRIYGBSA-N |
| Molecular Weight | 430.677 g/mol |
| SMILES | [C@@]12([C@](N(C)C(CC2)=O)(CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)(NC(=O)C(CCCCC)C)[H])[H])[H])[H])C |