| SpectraBase Compound ID | BiUyVlv5TjQ |
|---|---|
| InChI | InChI=1S/C25H38O6/c1-14(26)18-6-7-19-17-5-4-15-12-16(27)10-11-24(15,2)23(17)20(13-25(18,19)3)31-22(30)9-8-21(28)29/h15-20,23,27H,4-13H2,1-3H3,(H,28,29)/t15-,16+,17?,18+,19?,20+,23?,24-,25+/m0/s1 |
| InChIKey | CRYJEVNLFXUHDE-XWHYKWELSA-N |
| Mol Weight | 434.6 g/mol |
| Molecular Formula | C25H38O6 |
| Exact Mass | 434.266839 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6GeRgVJeQvO |
|---|---|
| Name | 3.alpha.-Hydroxy-20-oxo-5.alpha.-pregnan-11.alpha.-yl Hydrogen succinate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H38O6 |
| InChI | InChI=1S/C25H38O6/c1-14(26)18-6-7-19-17-5-4-15-12-16(27)10-11-24(15,2)23(17)20(13-25(18,19)3)31-22(30)9-8-21(28)29/h15-20,23,27H,4-13H2,1-3H3,(H,28,29)/t15-,16+,17?,18+,19?,20+,23?,24-,25+/m0/s1 |
| InChIKey | CRYJEVNLFXUHDE-XWHYKWELSA-N |
| Molecular Weight | 434.573 g/mol |
| SMILES | OC(CCC(O[C@]1(C2[C@]3(CC[C@](C[C@@]3(CCC2C2[C@](C1)([C@](CC2)(C(=O)C)[H])C)[H])(O)[H])C)[H])=O)=O |
| SPLASH | splash10-014l-6089000000-2c840187e6119121e8b5 |
| Source of Spectrum | G-58-627-0 |
| Synonyms | 4-{[(3alpha,5alpha,11alpha)-3-hydroxy-20-oxopregnan-11-yl]oxy}-4-oxobutanoic acid |
| Wiley ID | 748709 |