| SpectraBase Compound ID | 87IFO3LabgK |
|---|---|
| InChI | InChI=1S/C27H42N2O2/c1-7-16(2)25(31)29-23-13-15-27(5)21-12-14-26(4)19(17(3)28-6)10-11-20(26)18(21)8-9-22(27)24(23)30/h7,13,17-22,28H,8-12,14-15H2,1-6H3,(H,29,31)/b16-7+/t17?,18-,19+,20-,21-,22-,26+,27+/m0/s1 |
| InChIKey | RHOJWQQHEYFVEQ-GAGLIFIZSA-N |
| Mol Weight | 426.6 g/mol |
| Molecular Formula | C27H42N2O2 |
| Exact Mass | 426.324629 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | D1Vq8vDt3Vy |
|---|---|
| Name | Pulchowkimide A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42N2O2 |
| InChI | InChI=1S/C27H42N2O2/c1-7-16(2)25(31)29-23-13-15-27(5)21-12-14-26(4)19(17(3)28-6)10-11-20(26)18(21)8-9-22(27)24(23)30/h7,13,17-22,28H,8-12,14-15H2,1-6H3,(H,29,31)/b16-7+/t17?,18-,19+,20-,21-,22-,26+,27+/m0/s1 |
| InChIKey | RHOJWQQHEYFVEQ-GAGLIFIZSA-N |
| Molecular Weight | 426.645 g/mol |
| SMILES | N(C=1C([C@]2([C@@]([C@]3(CC[C@@]4([C@@](C(NC)C)(CC[C@]4([C@@]3(CC2)[H])[H])[H])C)[H])(CC1)C)[H])=O)C(\C(=C\C)C)=O |
| SPLASH | splash10-0a4i-9000000000-86420cb917102d908c18 |
| Source of Spectrum | H-87-1106-5 |
| Synonyms | (2E)-2-methyl-N-[(5alpha)-20-(methylamino)-4-oxopregn-2-en-3-yl]-2-butenamide 20-(Methylamino)-3-[(2'-methylbut-2'-enoyl)amino]-5.alpha.-pregn-2-en-4-one |
| Wiley ID | 1563749 |