| SpectraBase Compound ID | AXeadVbCImO |
|---|---|
| InChI | InChI=1S/C33H38O3/c1-32-19-17-24(30(34)22-9-5-3-6-10-22)21-25(32)13-14-26-27-15-16-29(33(27,2)20-18-28(26)32)36-31(35)23-11-7-4-8-12-23/h3-12,17,25-29H,13-16,18-21H2,1-2H3/t25?,26-,27-,28-,29-,32-,33-/m0/s1 |
| InChIKey | LXGNPGIHBPNUNJ-RAIMISFPSA-N |
| Mol Weight | 482.7 g/mol |
| Molecular Formula | C33H38O3 |
| Exact Mass | 482.282095 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8GM1Gnie4js |
|---|---|
| Name | 3.Benzoyl-17.beta.(benzoyloxy)androst-2-ene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 482.282095081 u |
| Formula | C33H38O3 |
| InChI | InChI=1S/C33H38O3/c1-32-19-17-24(30(34)22-9-5-3-6-10-22)21-25(32)13-14-26-27-15-16-29(33(27,2)20-18-28(26)32)36-31(35)23-11-7-4-8-12-23/h3-12,17,25-29H,13-16,18-21H2,1-2H3/t25?,26-,27-,28-,29-,32-,33-/m0/s1 |
| InChIKey | LXGNPGIHBPNUNJ-RAIMISFPSA-N |
| Molecular Weight | 482.664 g/mol |
| SMILES | [C@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)(OC(=O)C=3C=CC=CC3)[H])[H])([H])CCC1CC(=CC2)C(=O)C1=CC=CC=C1)[H])C |