| SpectraBase Compound ID | KJGOR5Jirq3 |
|---|---|
| InChI | InChI=1S/C33H47NO3Si/c1-31(2,3)38(6,7)37-28-15-14-26-25-13-12-21-20-22(16-18-32(21,4)27(25)17-19-33(26,28)5)34-29(35)23-10-8-9-11-24(23)30(34)36/h8-11,20,22,25-28H,12-19H2,1-7H3/t22-,25-,26-,27-,28-,32-,33-/m0/s1 |
| InChIKey | CLUOEYJFCCBUQV-AQGDPJAYSA-N |
| Mol Weight | 533.8 g/mol |
| Molecular Formula | C33H47NO3Si |
| Exact Mass | 533.332521 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EDM4LQ8llUF |
|---|---|
| Name | 17.beta.-Hydroxy-3.beta.-phthalimido-4-androstene tert-butyldimethylsilylether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 533.332520909 u |
| Formula | C33H47NO3Si |
| InChI | InChI=1S/C33H47NO3Si/c1-31(2,3)38(6,7)37-28-15-14-26-25-13-12-21-20-22(16-18-32(21,4)27(25)17-19-33(26,28)5)34-29(35)23-10-8-9-11-24(23)30(34)36/h8-11,20,22,25-28H,12-19H2,1-7H3/t22-,25-,26-,27-,28-,32-,33-/m0/s1 |
| InChIKey | CLUOEYJFCCBUQV-AQGDPJAYSA-N |
| Molecular Weight | 533.828 g/mol |
| SMILES | C1(N(C(C2=CC=CC=C12)=O)[C@@]1(C=C2CC[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@@]3([C@]2(CC1)C)[H])C)(O[Si](C(C)(C)C)(C)C)[H])[H])[H])[H])=O |