![Benzamide, N-[(3.beta.)-3-(acetylamino)-18-hydroxypregn-5-en-20-yl]-](/api/spectrum/2FIjHr4u3M/structure.png?h=300&w=458 "Benzamide, N-[(3.beta.)-3-(acetylamino)-18-hydroxypregn-5-en-20-yl]-")
| SpectraBase Compound ID | HraMhSMt90S |
|---|---|
| InChI | InChI=1S/C30H42N2O3/c1-19(31-28(35)21-7-5-4-6-8-21)25-11-12-27-24-10-9-22-17-23(32-20(2)34)13-15-29(22,3)26(24)14-16-30(25,27)18-33/h4-9,19,23-27,33H,10-18H2,1-3H3,(H,31,35)(H,32,34)/t19?,23-,24+,25+,26-,27-,29-,30-/m0/s1 |
| InChIKey | CMORTTYDBFSEJK-WZEMLSGTSA-N |
| Mol Weight | 478.7 g/mol |
| Molecular Formula | C30H42N2O3 |
| Exact Mass | 478.319543 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2FIjHr4u3M |
|---|---|
| Name | Benzamide, N-[(3.beta.)-3-(acetylamino)-18-hydroxypregn-5-en-20-yl]- |
| CAS Registry Number | 55515-23-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H42N2O3 |
| InChI | InChI=1S/C30H42N2O3/c1-19(31-28(35)21-7-5-4-6-8-21)25-11-12-27-24-10-9-22-17-23(32-20(2)34)13-15-29(22,3)26(24)14-16-30(25,27)18-33/h4-9,19,23-27,33H,10-18H2,1-3H3,(H,31,35)(H,32,34)/t19?,23-,24+,25+,26-,27-,29-,30-/m0/s1 |
| InChIKey | CMORTTYDBFSEJK-WZEMLSGTSA-N |
| Molecular Weight | 478.677 g/mol |
| SMILES | N(C(=O)C)[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@](CO)(CC[C@]23[H])[C@](CC4)(C(NC(=O)c2ccccc2)C)[H])[H])[H])C1)C)[H] |
| SPLASH | splash10-0a4j-0912000000-83f3ba0695c9af459a7f |
| Source of Spectrum | O-5-177-8 |
| Synonyms | 3.beta.-acetylamino-20-benzoylamino-5-pregnen-18-ol N-[(3beta)-3-(acetylamino)-18-hydroxypregn-5-en-20-yl]benzamide |
| Wiley ID | 62193 |