![4.xi.-[(3'.beta.-tert-Butyldimethylsilyloxy)androst-5'-en-17'.beta.-yl]-3-pyrrolidin-2-one](/api/spectrum/B0XUpeGD5ap/structure.png?h=300&w=458 "4.xi.-[(3'.beta.-tert-Butyldimethylsilyloxy)androst-5'-en-17'.beta.-yl]-3-pyrrolidin-2-one")
| SpectraBase Compound ID | EY4660aJH7X |
|---|---|
| InChI | InChI=1S/C29H49NO2Si/c1-27(2,3)33(6,7)32-21-12-14-28(4)20(17-21)8-9-22-24-11-10-23(19-16-26(31)30-18-19)29(24,5)15-13-25(22)28/h8,19,21-25H,9-18H2,1-7H3,(H,30,31)/t19?,21-,22-,23?,24-,25-,28-,29+/m0/s1 |
| InChIKey | WMSNRWFQJQWWDN-XOBBOZPXSA-N |
| Mol Weight | 471.8 g/mol |
| Molecular Formula | C29H49NO2Si |
| Exact Mass | 471.353256 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 | B0XUpeGD5ap |
|---|---|
| Name | 4.xi.-[(3'.beta.-tert-butyldimethylsilyloxy)androst-5'-en-17'.beta.-yl]-3-pyrrolidin-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 471.353256355 u |
| Formula | C29H49NO2Si |
| InChI | InChI=1S/C29H49NO2Si/c1-27(2,3)33(6,7)32-21-12-14-28(4)20(17-21)8-9-22-24-11-10-23(19-16-26(31)30-18-19)29(24,5)15-13-25(22)28/h8,19,21-25H,9-18H2,1-7H3,(H,30,31)/t19?,21-,22-,23?,24-,25-,28-,29+/m0/s1 |
| InChIKey | WMSNRWFQJQWWDN-XOBBOZPXSA-N |
| Molecular Weight | 471.801 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](O[Si](C(C)(C)C)(C)C)(C4)[H])C)[H])(CCC1C1CC(=O)NC1)[H])C |