| SpectraBase Compound ID | FkYy1gfa1w |
|---|---|
| InChI | InChI=1S/C33H56NO4/c1-21(9-8-18-38-29(36)28-20-30(2,3)34(37)31(28,4)5)25-12-13-26-24-11-10-22-19-23(35)14-16-32(22,6)27(24)15-17-33(25,26)7/h21-28,35H,8-20H2,1-7H3/t21-,22-,23-,24?,25-,26?,27?,28?,32+,33-/m1/s1 |
| InChIKey | NCGRKJDIJJAPRK-CODMAIIESA-N |
| Mol Weight | 531.8 g/mol |
| Molecular Formula | C33H57NO4 |
| Exact Mass | 531.428759 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EYCJ9YJbgcg |
|---|---|
| Name | 3'-(3.alpha.-Hydroxycholan-24-oate)-2',2',5',5'-tetramethylpyrrolidine-1'-oxyl |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H56NO4 |
| InChI | InChI=1S/C33H56NO4/c1-21(9-8-18-38-29(36)28-20-30(2,3)34(37)31(28,4)5)25-12-13-26-24-11-10-22-19-23(35)14-16-32(22,6)27(24)15-17-33(25,26)7/h21-28,35H,8-20H2,1-7H3/t21-,22-,23-,24?,25-,26?,27?,28?,32+,33-/m1/s1 |
| InChIKey | NCGRKJDIJJAPRK-CODMAIIESA-N |
| Molecular Weight | 531.822 g/mol |
| SMILES | ON1C(C(C(OCCC[C@]([C@@]2([C@]3(CCC4[C@]5(CC[C@](C[C@]5(CCC4C3CC2)[H])(O)[H])C)C)[H])(C)[H])=O)CC1(C)C)(C)C |
| SPLASH | splash10-001i-4410090000-7dc3a192fc9f6a2f7356 |
| Source of Spectrum | F-48-9949-16 |
| Wiley ID | 1403395 |