| SpectraBase Compound ID | CaIsd2VXDIP |
|---|---|
| InChI | InChI=1S/C27H45N3O2/c1-5-6-17-28-25(32)30(18-7-8-18)23-12-10-20-19-9-11-22-26(2,16-14-24(31)29(22)4)21(19)13-15-27(20,23)3/h18-23H,5-17H2,1-4H3,(H,28,32)/t19?,20?,21?,22?,23-,26+,27-/m0/s1 |
| InChIKey | ALESAVHLSVBQAK-YMULESKKSA-N |
| Mol Weight | 443.7 g/mol |
| Molecular Formula | C27H45N3O2 |
| Exact Mass | 443.351178 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Jn7PutQvRi9 |
|---|---|
| Name | 17.beta.-(Ureylene-N-cyclopropyl-N'-butyl)-4-methyl-4-aza-5.alpha.-androstan-3-one |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H45N3O2 |
| InChI | InChI=1S/C27H45N3O2/c1-5-6-17-28-25(32)30(18-7-8-18)23-12-10-20-19-9-11-22-26(2,16-14-24(31)29(22)4)21(19)13-15-27(20,23)3/h18-23H,5-17H2,1-4H3,(H,28,32)/t19?,20?,21?,22?,23-,26+,27-/m0/s1 |
| InChIKey | ALESAVHLSVBQAK-YMULESKKSA-N |
| Molecular Weight | 443.676 g/mol |
| SMILES | N(C(N([C@@]1([C@@]2(C(C3C([C@@]4(C(N(C(=O)CC4)C)CC3)C)CC2)CC1)C)[H])C1CC1)=O)CCCC |
| SPLASH | splash10-004l-0009100000-fe2ae208f118ffe28803 |
| Source of Spectrum | G2-5-307-3d |
| Wiley ID | 1705358 |