| SpectraBase Compound ID | IdXWyk738VK |
|---|---|
| InChI | InChI=1S/C25H40O3/c1-16(26)25(27)14-11-21-19-8-7-17-15-18(28-22(2,3)4)9-12-23(17,5)20(19)10-13-24(21,25)6/h7,18-21,27H,8-15H2,1-6H3/t18-,19+,20-,21-,23-,24-,25-/m0/s1 |
| InChIKey | PBCQFJQUTWMSNT-BSXCMTNWSA-N |
| Mol Weight | 388.6 g/mol |
| Molecular Formula | C25H40O3 |
| Exact Mass | 388.297745 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GGHSXaMZEPD |
|---|---|
| Name | 3.beta.-tert-Butoxy-17.alpha.-hydroxypregn-5-en-20-one |
| Alternate Name(s) | (3beta)-3-tert-butoxy-17-hydroxypregn-5-en-20-one |
| CAS Registry Number | 68550-62-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H40O3 |
| InChI | InChI=1S/C25H40O3/c1-16(26)25(27)14-11-21-19-8-7-17-15-18(28-22(2,3)4)9-12-23(17,5)20(19)10-13-24(21,25)6/h7,18-21,27H,8-15H2,1-6H3/t18-,19+,20-,21-,23-,24-,25-/m0/s1 |
| InChIKey | PBCQFJQUTWMSNT-BSXCMTNWSA-N |
| Molecular Weight | 388.592 g/mol |
| SMILES | O[C@]1([C@@]2([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(C)(C)C)(C4)[H])C)[H])(CC1)[H])C)C(=O)C |
| SPLASH | splash10-0079-0094000000-639acdc2826d6d4a2378 |
| Source of Spectrum | J-44-708-0 |
| Wiley ID | 1364120 |