| SpectraBase Compound ID | AtotkpMaAD7 |
|---|---|
| InChI | InChI=1S/C29H39NO5/c1-17(34-27(33)19-8-6-5-7-9-19)20-14-23-25-22(11-12-28(23,3)16-20)29(4)13-10-21(35-18(2)31)15-24(29)30-26(25)32/h5-9,17,20-25H,10-16H2,1-4H3,(H,30,32)/t17?,20-,21-,22-,23-,24-,25+,28+,29+/m0/s1 |
| InChIKey | GCUZCCAWBGVBDG-MJMFYAGMSA-N |
| Mol Weight | 481.6 g/mol |
| Molecular Formula | C29H39NO5 |
| Exact Mass | 481.282823 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8g5shfo1SPe |
|---|---|
| Name | (20R)-6-Aza-7-oxo-5.alpha.-pregnan-3.beta.,20-diyl acetate benzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H39NO5 |
| InChI | InChI=1S/C29H39NO5/c1-17(34-27(33)19-8-6-5-7-9-19)20-14-23-25-22(11-12-28(23,3)16-20)29(4)13-10-21(35-18(2)31)15-24(29)30-26(25)32/h5-9,17,20-25H,10-16H2,1-4H3,(H,30,32)/t17?,20-,21-,22-,23-,24-,25+,28+,29+/m0/s1 |
| InChIKey | GCUZCCAWBGVBDG-MJMFYAGMSA-N |
| Molecular Weight | 481.633 g/mol |
| SMILES | N1[C@@]2([C@@]([C@]3(CC[C@]4([C@]([C@@]3(C1=O)[H])(C[C@@](C4)(C(OC(=O)c1ccccc1)C)[H])[H])C)[H])(CC[C@@](C2)(OC(=O)C)[H])C)[H] |
| SPLASH | splash10-052f-9202200000-47e30c5180efcedcfc90 |
| Source of Spectrum | KC-61-2276-23 |
| Wiley ID | 1628071 |