| SpectraBase Compound ID | 6oeSVXqjLzv |
|---|---|
| InChI | InChI=1S/C22H30O2/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h4-5,8,10,12,14,17-20,23H,6-7,9,11,13H2,1-3H3/t14-,17+,18-,19+,20+,21+,22-/m1/s1 |
| InChIKey | XYFRYUITFYTGTP-HOFZUOGSSA-N |
| Mol Weight | 326.48 g/mol |
| Molecular Formula | C22H30O2 |
| Exact Mass | 326.22458 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JPR5yyJ9zG4 |
|---|---|
| Name | Pregna-1,4,6-trien-3-one, 21-hydroxy-20-methyl-, (20S)- |
| CAS Registry Number | 66875-12-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H30O2 |
| InChI | InChI=1S/C22H30O2/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h4-5,8,10,12,14,17-20,23H,6-7,9,11,13H2,1-3H3/t14-,17+,18-,19+,20+,21+,22-/m1/s1 |
| InChIKey | XYFRYUITFYTGTP-HOFZUOGSSA-N |
| Molecular Weight | 326.480 g/mol |
| SMILES | OC[C@]([C@@]1([C@]2(CC[C@]3([C@]([C@@]2(CC1)[H])(C=CC=1[C@@]3(C=CC(=O)C1)C)[H])[H])C)[H])(C)[H] |
| SPLASH | splash10-0a73-7910000000-eb85d6d933a6e2ed9cbe |
| Source of Spectrum | H-64-1883-0 |
| Synonyms | (1S,2R,10S,11S,14R,15S)-14-[(2S)-1-hydroxypropan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadeca-3,6,8-trien-5-one (20S)-21-hydroxy-20-methyl-1,5-pregnatrien-3-one (8S,9S,10R,13S,14S,17R)-17-[(2S)-1-hydroxypropan-2-yl]-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one (8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S)-1-oxidanylpropan-2-yl]-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one |
| Wiley ID | 1325226 |