| SpectraBase Compound ID | 6ELrgB1xcjL |
|---|---|
| InChI | InChI=1S/C30H39NO4/c1-19(32)35-22-13-15-29(2)21(17-22)9-10-23-24-11-12-26(30(24,3)16-14-25(23)29)28(34)31-18-27(33)20-7-5-4-6-8-20/h4-9,22-26H,10-18H2,1-3H3,(H,31,34)/t22-,23-,24-,25-,26+,29-,30-/m0/s1 |
| InChIKey | DTMIFIULQMJTBU-MAGPSZRDSA-N |
| Mol Weight | 477.6 g/mol |
| Molecular Formula | C30H39NO4 |
| Exact Mass | 477.287909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F4MrunV0SUd |
|---|---|
| Name | N-(Benzoylmethyl)-3-.beta.-(acetoxy)androst-5-ene-17.beta.-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 477.287908736 u |
| Formula | C30H39NO4 |
| InChI | InChI=1S/C30H39NO4/c1-19(32)35-22-13-15-29(2)21(17-22)9-10-23-24-11-12-26(30(24,3)16-14-25(23)29)28(34)31-18-27(33)20-7-5-4-6-8-20/h4-9,22-26H,10-18H2,1-3H3,(H,31,34)/t22-,23-,24-,25-,26+,29-,30-/m0/s1 |
| InChIKey | DTMIFIULQMJTBU-MAGPSZRDSA-N |
| Molecular Weight | 477.645 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])(CC[C@@]1(C(NCC(=O)C1=CC=CC=C1)=O)[H])[H])C |