| SpectraBase Compound ID | 7GoXTcm29hM |
|---|---|
| InChI | InChI=1S/C25H35NO7/c1-14(28)20-16(12-26)9-24(30)18-6-5-17-10-23(31-4)8-7-21(17,3)25(18,33-23)19(32-15(2)29)11-22(20,24)13-27/h16-20,27,30H,5-11,13H2,1-4H3/t16?,17-,18?,19?,20?,21+,22?,23-,24?,25+/m0/s1 |
| InChIKey | SLUROEXRUYSJLQ-WDQJLXHFSA-N |
| Mol Weight | 461.6 g/mol |
| Molecular Formula | C25H35NO7 |
| Exact Mass | 461.241352 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | I49RVBnLpty |
|---|---|
| Name | 3,9-Epoxypregnane-11,14,18-triol-20-one, 16-cyano-3-methoxy-, 11-acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H35NO7 |
| InChI | InChI=1S/C25H35NO7/c1-14(28)20-16(12-26)9-24(30)18-6-5-17-10-23(31-4)8-7-21(17,3)25(18,33-23)19(32-15(2)29)11-22(20,24)13-27/h16-20,27,30H,5-11,13H2,1-4H3/t16?,17-,18?,19?,20?,21+,22?,23-,24?,25+/m0/s1 |
| InChIKey | SLUROEXRUYSJLQ-WDQJLXHFSA-N |
| Molecular Weight | 461.555 g/mol |
| SMILES | OCC12CC([C@@]34C(C2(CC(C1C(=O)C)C#N)O)CC[C@]1(C[C@@](CC[C@@]41C)(OC)O3)[H])OC(C)=O |
| SPLASH | splash10-014l-8982000000-008bb71dc37b6c93c289 |
| Wiley ID | 1480556 |