![2-Pyrrolidinone, 1-[(3.beta.)-cholest-5-en-3-yl]-](/api/spectrum/AQOjwviUklm/structure.png?h=300&w=458 "2-Pyrrolidinone, 1-[(3.beta.)-cholest-5-en-3-yl]-")
| SpectraBase Compound ID | 6TwMGhqGrN1 |
|---|---|
| InChI | InChI=1S/C31H51NO/c1-21(2)8-6-9-22(3)26-13-14-27-25-12-11-23-20-24(32-19-7-10-29(32)33)15-17-30(23,4)28(25)16-18-31(26,27)5/h11,21-22,24-28H,6-10,12-20H2,1-5H3/t22-,24+,25?,26-,27?,28?,30+,31-/m1/s1 |
| InChIKey | QMGXDZUFPIVUQW-PHZPAERESA-N |
| Mol Weight | 453.8 g/mol |
| Molecular Formula | C31H51NO |
| Exact Mass | 453.397065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AQOjwviUklm |
|---|---|
| Name | 2-Pyrrolidinone, 1-[(3.beta.)-cholest-5-en-3-yl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 453.397065265 u |
| Formula | C31H51NO |
| InChI | InChI=1S/C31H51NO/c1-21(2)8-6-9-22(3)26-13-14-27-25-12-11-23-20-24(32-19-7-10-29(32)33)15-17-30(23,4)28(25)16-18-31(26,27)5/h11,21-22,24-28H,6-10,12-20H2,1-5H3/t22-,24+,25?,26-,27?,28?,30+,31-/m1/s1 |
| InChIKey | QMGXDZUFPIVUQW-PHZPAERESA-N |
| Molecular Weight | 453.755 g/mol |
| SMILES | [C@@]12(C(C3CC=C4[C@@](C3CC2)(CC[C@](N2C(=O)CCC2)(C4)[H])C)CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C |