| SpectraBase Compound ID | 2VUphKYr7Th |
|---|---|
| InChI | InChI=1S/C27H45NO/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-28-25(29)24-11-6-7-15-26(24,4)23(20)14-16-27(21,22)5/h11,18-23H,6-10,12-17H2,1-5H3,(H,28,29)/t19-,20?,21?,22?,23?,26-,27-/m1/s1 |
| InChIKey | QHFRJLVYPIYPQY-WELDSIESSA-N |
| Mol Weight | 399.7 g/mol |
| Molecular Formula | C27H45NO |
| Exact Mass | 399.350115 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LqMNocjhAmE |
|---|---|
| Name | 7-Aza-B-cholest-4-en-6-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H45NO |
| InChI | InChI=1S/C27H45NO/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-28-25(29)24-11-6-7-15-26(24,4)23(20)14-16-27(21,22)5/h11,18-23H,6-10,12-17H2,1-5H3,(H,28,29)/t19-,20?,21?,22?,23?,26-,27-/m1/s1 |
| InChIKey | QHFRJLVYPIYPQY-WELDSIESSA-N |
| Molecular Weight | 399.663 g/mol |
| SMILES | N1CC2C3[C@](CCC2[C@@]2(C(C1=O)=CCCC2)C)(C(CC3)[C@@](CCCC(C)C)(C)[H])C |
| SPLASH | splash10-0fdk-0409200000-b0565ff5024b3795a435 |
| Source of Spectrum | QA-69-419-6 |
| Wiley ID | 1576264 |