| SpectraBase Compound ID | 63z1c1yRosD |
|---|---|
| InChI | InChI=1S/C23H32O3/c1-13-9-16-17(22(3)7-5-15(25)11-18(13)22)6-8-23(4)19(16)10-14(2)21(23)20(26)12-24/h9,11,14,16-17,19,21,24H,5-8,10,12H2,1-4H3/t14-,16-,17+,19+,21-,22-,23+/m1/s1 |
| InChIKey | FGBOSZWWQZLOLN-JEQGHIRDSA-N |
| Mol Weight | 356.5 g/mol |
| Molecular Formula | C23H32O3 |
| Exact Mass | 356.235145 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1swN9HxNJEW |
|---|---|
| Name | Pregna-4,6-diene-3,20-dione, 21-hydroxy-6,16-dimethyl-, (16.alpha.)- |
| CAS Registry Number | 67977-53-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H32O3 |
| InChI | InChI=1S/C23H32O3/c1-13-9-16-17(22(3)7-5-15(25)11-18(13)22)6-8-23(4)19(16)10-14(2)21(23)20(26)12-24/h9,11,14,16-17,19,21,24H,5-8,10,12H2,1-4H3/t14-,16-,17+,19+,21-,22-,23+/m1/s1 |
| InChIKey | FGBOSZWWQZLOLN-JEQGHIRDSA-N |
| Molecular Weight | 356.506 g/mol |
| SMILES | OCC([C@@]1([C@@]2([C@]([C@@]3(C=C(C)C=4[C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])(C[C@]1(C)[H])[H])C)[H])=O |
| SPLASH | splash10-0a70-0439000000-5f0eb6f947ed20c04876 |
| Source of Spectrum | K-112-985-0 |
| Synonyms | (16alpha)-21-hydroxy-6,16-dimethylpregna-4,6-diene-3,20-dione 21-Hydroxy-6,16.alpha.-dimethyl-4,6-pregnadien-3,20-dione (8S,9S,10R,13S,14S,16R,17S)-17-(2-hydroxy-1-oxoethyl)-6,10,13,16-tetramethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one (8S,9S,10R,13S,14S,16R,17S)-17-(2-hydroxyacetyl)-6,10,13,16-tetramethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one (8S,9S,10R,13S,14S,16R,17S)-6,10,13,16-tetramethyl-17-(2-oxidanylethanoyl)-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one |
| Wiley ID | 1346148 |