| SpectraBase Compound ID | IvCrONOIYtt |
|---|---|
| InChI | InChI=1S/C28H47N3O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(30-31-26(29)32)13-15-27(20,4)25(22)14-16-28(23,24)5/h17-19,22-25H,6-16H2,1-5H3,(H3,29,31,32)/b30-21+/t19-,22+,23-,24+,25+,27+,28-/m1/s1 |
| InChIKey | VOFZBWVFCCOKSK-CASASHAKSA-N |
| Mol Weight | 441.7 g/mol |
| Molecular Formula | C28H47N3O |
| Exact Mass | 441.371913 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4QJWTl4NzKx |
|---|---|
| Name | 4-Cholesten-3-one semicarbazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 441.371913144 u |
| Formula | C28H47N3O |
| InChI | InChI=1S/C28H47N3O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(30-31-26(29)32)13-15-27(20,4)25(22)14-16-28(23,24)5/h17-19,22-25H,6-16H2,1-5H3,(H3,29,31,32)/b30-21+/t19-,22+,23-,24+,25+,27+,28-/m1/s1 |
| InChIKey | VOFZBWVFCCOKSK-CASASHAKSA-N |
| Molecular Weight | 441.704 g/mol |
| SMILES | C1\C(C=C2[C@](C1)([C@@]1([C@@](CC2)([C@]2([C@](CC1)([C@](CC2)([C@](C)(CCCC(C)C)[H])[H])C)[H])[H])[H])C)=N/NC(N)=O |