| SpectraBase Compound ID | JMch0MeCm4X |
|---|---|
| InChI | InChI=1S/C21H28O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h5,8,11,15-17,22,25H,3-4,6-7,9-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1 |
| InChIKey | BVAYTJBBDODANA-OBQKJFGGSA-N |
| Mol Weight | 344.45 g/mol |
| Molecular Formula | C21H28O4 |
| Exact Mass | 344.198759 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | L9tysAGyBQ0 |
|---|---|
| Name | (8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-oxidanyl-17-(2-oxidanylethanoyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one |
| CAS Registry Number | 1807-14-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H28O4 |
| InChI | InChI=1S/C21H28O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h5,8,11,15-17,22,25H,3-4,6-7,9-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1 |
| InChIKey | BVAYTJBBDODANA-OBQKJFGGSA-N |
| Molecular Weight | 344.451 g/mol |
| SMILES | OCC([C@@]1([C@@]2([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(C=CC(=O)C4)C)[H])(CC1)[H])C)O)=O |
| SPLASH | splash10-00di-1930000000-1693b4412e1818de99d6 |
| Source of Spectrum | KO-12-406-7 |
| Synonyms | (8R,9S,10R,13S,14S,17R)-17-glycoloyl-17-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one (8R,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one (8R,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one 17,21-dihydroxypregna-1,4-diene-3,20-dione 17alpha,21-dihydroxypregna-1,4-diene-3,20-dione |
| Wiley ID | 1338131 |