| SpectraBase Compound ID | 1Ml1CEUnmLg |
|---|---|
| InChI | InChI=1S/C25H45NO2Si/c1-17(26-27-4)21-10-11-22-20-9-8-18-16-19(28-29(5,6)7)12-14-24(18,2)23(20)13-15-25(21,22)3/h18-23H,8-16H2,1-7H3/b26-17+/t18-,19+,20+,21-,22+,23+,24+,25-/m1/s1 |
| InChIKey | MFOIVZWKNBPHHX-PZEGOASWSA-N |
| Mol Weight | 419.7 g/mol |
| Molecular Formula | C25H45NO2Si |
| Exact Mass | 419.321956 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JBcF2HhuqrV |
|---|---|
| Name | 3-beta-hydroxy-5-beta-pregnan-20-one, 1TMS, 1MEOX |
| Comments | Derivatization type: 1 TMS (mass: 419.322); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000370; Note: The molecular formula of the structure shown is C21H34O2 - which differs from the formula reported for the mass spectrum (C25H45NO2Si) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H45NO2Si |
| InChI | InChI=1S/C25H45NO2Si/c1-17(26-27-4)21-10-11-22-20-9-8-18-16-19(28-29(5,6)7)12-14-24(18,2)23(20)13-15-25(21,22)3/h18-23H,8-16H2,1-7H3/b26-17+/t18-,19+,20+,21-,22+,23+,24+,25-/m1/s1 |
| InChIKey | MFOIVZWKNBPHHX-PZEGOASWSA-N |
| Molecular Weight | 419.725 g/mol |
| SMILES | C\C([C@]1(CC[C@]2([C@@]3(CC[C@@]4(C[C@](CC[C@]4(C)[C@]3(CC[C@]12C)[H])(O[Si](C)(C)C)[H])[H])[H])[H])[H])=N/OC |
| SPLASH | splash10-0udr-4900000000-a354cf37f1b5b8407ff6 |
| Source of Spectrum | FM-2019-370-0 |
| Synonyms | Epipregnanolone, 1TMS, 1MEOX Pregnanolone I, 1TMS, 1MEOX 5.beta.-Pregnanolone, 1TMS, 1MEOX Pregnan-3.beta.-ol-20-one, 1TMS, 1MEOX CHEBI:16229, 1TMS, 1MEOX 3beta-Hydroxy-5beta-pregnane-20-one, 1TMS, 1MEOX 1-[(3S,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone, 1TMS, 1MEOX (E)-1-((3S,5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-((trimethylsilyl)oxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethan-1-one O-methyl oxime |
| Wiley ID | 1818057 |