![Acetamide, N-[(3.beta.,5.alpha.,20R)-3,20-bis(acetyloxy)pregnan-18-yl]-](/api/spectrum/xbZKFEOn9k/structure.png?h=300&w=458 "Acetamide, N-[(3.beta.,5.alpha.,20R)-3,20-bis(acetyloxy)pregnan-18-yl]-")
| SpectraBase Compound ID | FID01ij3yxl |
|---|---|
| InChI | InChI=1S/C27H43NO5/c1-16(32-18(3)30)23-8-9-25-22-7-6-20-14-21(33-19(4)31)10-12-26(20,5)24(22)11-13-27(23,25)15-28-17(2)29/h16,20-25H,6-15H2,1-5H3,(H,28,29)/t16-,20-,21-,22+,23?,24-,25-,26-,27-/m0/s1 |
| InChIKey | JKVZBQRLPQNIHE-YMBMOLBMSA-N |
| Mol Weight | 461.6 g/mol |
| Molecular Formula | C27H43NO5 |
| Exact Mass | 461.314123 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | xbZKFEOn9k |
|---|---|
| Name | Acetamide, N-[(3.beta.,5.alpha.,20R)-3,20-bis(acetyloxy)pregnan-18-yl]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 461.314123484 u |
| Formula | C27H43NO5 |
| InChI | InChI=1S/C27H43NO5/c1-16(32-18(3)30)23-8-9-25-22-7-6-20-14-21(33-19(4)31)10-12-26(20,5)24(22)11-13-27(23,25)15-28-17(2)29/h16,20-25H,6-15H2,1-5H3,(H,28,29)/t16-,20-,21-,22+,23?,24-,25-,26-,27-/m0/s1 |
| InChIKey | JKVZBQRLPQNIHE-YMBMOLBMSA-N |
| Molecular Weight | 461.643 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])[H])(CCC1[C@@](OC(=O)C)(C)[H])[H])CNC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96573 |