| SpectraBase Compound ID | 7Epze0IbBEh |
|---|---|
| InChI | InChI=1S/C40H62NO2/c1-28(12-11-15-30-25-37(2,3)41(42)38(4,5)26-30)34-18-19-35-33-17-16-31-24-32(43-27-29-13-9-8-10-14-29)20-22-39(31,6)36(33)21-23-40(34,35)7/h8-10,13-15,28,31-36H,11-12,16-27H2,1-7H3/t28-,31-,32-,33?,34-,35?,36?,39+,40-/m1/s1 |
| InChIKey | PTUFXSVFCHMDCJ-NMKOABDCSA-N |
| Mol Weight | 589.9 g/mol |
| Molecular Formula | C40H63NO2 |
| Exact Mass | 589.48588 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AfFCo00kBJL |
|---|---|
| Name | 4'-(3.alpha.-Benzyloxychol-24-en)-2',2',6',6'-tetramethylpiperidine-1'-oxyl |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H62NO2 |
| InChI | InChI=1S/C40H62NO2/c1-28(12-11-15-30-25-37(2,3)41(42)38(4,5)26-30)34-18-19-35-33-17-16-31-24-32(43-27-29-13-9-8-10-14-29)20-22-39(31,6)36(33)21-23-40(34,35)7/h8-10,13-15,28,31-36H,11-12,16-27H2,1-7H3/t28-,31-,32-,33?,34-,35?,36?,39+,40-/m1/s1 |
| InChIKey | PTUFXSVFCHMDCJ-NMKOABDCSA-N |
| Molecular Weight | 589.949 g/mol |
| SMILES | ON1C(CC(=CCC[C@]([C@@]2([C@@]3(C(C4CC[C@]5([C@@](C4CC3)(CC[C@@](OCc3ccccc3)(C5)[H])C)[H])CC2)C)[H])(C)[H])CC1(C)C)(C)C |
| SPLASH | splash10-05oy-6400190000-fc747f8ca0c8132518d0 |
| Source of Spectrum | F-48-9947-10 |
| Wiley ID | 1409236 |