| SpectraBase Compound ID | DGRPVqkKXlS |
|---|---|
| InChI | InChI=1S/C25H39NO3/c1-16(23(28)29-5)26(17(2)27)19-10-14-25(4)18(15-19)8-9-20-21-7-6-12-24(21,3)13-11-22(20)25/h10,16,18,20-22H,6-9,11-15H2,1-5H3 |
| InChIKey | PASLLCBZKMYQDM-UHFFFAOYSA-N |
| Mol Weight | 401.6 g/mol |
| Molecular Formula | C25H39NO3 |
| Exact Mass | 401.292994 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HC6a0JXuwPh |
|---|---|
| Name | Alanine, N-acetyl-N-5.alpha.-androst-2-en-3-yl-, methyl ester, L- |
| CAS Registry Number | 4642-58-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H39NO3 |
| InChI | InChI=1S/C25H39NO3/c1-16(23(28)29-5)26(17(2)27)19-10-14-25(4)18(15-19)8-9-20-21-7-6-12-24(21,3)13-11-22(20)25/h10,16,18,20-22H,6-9,11-15H2,1-5H3 |
| InChIKey | PASLLCBZKMYQDM-UHFFFAOYSA-N |
| Molecular Weight | 401.591 g/mol |
| SMILES | CC12C3C(C4C(CC3)(C)CCC4)CCC2CC(=CC1)N(C(C(OC)=O)C)C(C)=O |
| SPLASH | splash10-0pb9-9615100000-4b6edee7b2c737ee7fb5 |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | Methyl 2-[acetyl(androst-2-en-3-yl)amino]propanoate 2-[acetyl-(10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)amino]propanoic acid methyl ester 2-[acetyl-(10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)amino]propionic acid methyl ester Methyl 2-[(10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)-ethanoyl-amino]propanoate Methyl 2-[acetyl-(10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)amino]propanoate |
| Wiley ID | 1370058 |