| SpectraBase Compound ID | BtRMl3bHIZz |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-13(22)21(25-24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1 |
| InChIKey | QORSAKNHFYZSLZ-TVWVXWENSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C21H32O4 |
| Exact Mass | 348.23006 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EXpB94Ewu5t |
|---|---|
| Name | (3beta)-17-hydroperoxy-3-hydroxypregn-5-en-20-one |
| Alternate Name(s) | 1-[(3S,8R,9S,10R,13S,14S,17R)-17-(dioxidanyl)-10,13-dimethyl-3-oxidanyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone 1-[(3S,8R,9S,10R,13S,14S,17R)-17-hydroperoxy-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone |
| CAS Registry Number | 34069-59-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H32O4 |
| InChI | InChI=1S/C21H32O4/c1-13(22)21(25-24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1 |
| InChIKey | QORSAKNHFYZSLZ-TVWVXWENSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | O[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@](OO)(CC4)C(=O)C)(CC[C@]23[H])C)[H])[H])C1)C)[H] |
| SPLASH | splash10-0c13-4593000000-242a35c45ca955f88542 |
| Source of Spectrum | KN-50-708-3 |
| Wiley ID | 1340826 |