| SpectraBase Compound ID | 7lnhqGB8AwS |
|---|---|
| InChI | InChI=1S/C34H53NO/c1-23(2)11-10-12-24(3)28-17-18-29-27-16-15-25-21-32(36)31(35(6)26-13-8-7-9-14-26)22-34(25,5)30(27)19-20-33(28,29)4/h7-9,13-14,23-25,27-31H,10-12,15-22H2,1-6H3/t24-,25+,27+,28-,29+,30+,31?,33-,34+/m1/s1 |
| InChIKey | KQSLCHLDOUMWOC-CWOLLZEESA-N |
| Mol Weight | 491.8 g/mol |
| Molecular Formula | C34H53NO |
| Exact Mass | 491.412715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3uxc4JCvb8P |
|---|---|
| Name | Cholestan-3-one, 2-(methylphenylamino)-, (5.alpha.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 491.412715330 u |
| Formula | C34H53NO |
| InChI | InChI=1S/C34H53NO/c1-23(2)11-10-12-24(3)28-17-18-29-27-16-15-25-21-32(36)31(35(6)26-13-8-7-9-14-26)22-34(25,5)30(27)19-20-33(28,29)4/h7-9,13-14,23-25,27-31H,10-12,15-22H2,1-6H3/t24-,25+,27+,28-,29+,30+,31?,33-,34+/m1/s1 |
| InChIKey | KQSLCHLDOUMWOC-CWOLLZEESA-N |
| Molecular Weight | 491.804 g/mol |
| SMILES | [C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@]2(CC(=O)C(C1)N(C1=CC=CC=C1)C)[H])[H])C |