| SpectraBase Compound ID | 33TZMpBXba3 |
|---|---|
| InChI | InChI=1S/C28H51NO3Si2/c1-27-16-14-21(32-34(7,8)9)18-20(27)10-11-22-23-12-13-25(28(23,2)17-15-24(22)27)26(29-30-3)19-31-33(4,5)6/h10,21-25H,11-19H2,1-9H3/b29-26- |
| InChIKey | UEUVXEVIVZCSKS-WCTVFOPTSA-N |
| Mol Weight | 505.9 g/mol |
| Molecular Formula | C28H51NO3Si2 |
| Exact Mass | 505.340748 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | J3zw59FxKOR |
|---|---|
| Name | 17-alpha-20-alpha-dihydroxy-4-pregnen-3-one, 2TMS, 1MEOX |
| Alternate Name(s) | 21-Hydroxypregnenolone, 2TMS, 1MEOX 5-Pregnen-3.beta.,21-diol-20-one, 2TMS, 1MEOX C05485, 2TMS, 1MEOX 1164-98-3, 2TMS, 1MEOX 2-Hydroxy-1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone, 2TMS, 1MEOX (E)-1-(10,13-dimethyl-3-((trimethylsilyl)oxy)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-((trimethylsilyl)oxy)ethan-1-one O-methyl oxime |
| Comments | Derivatization type: 2 TMS (mass: 505.341); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000715; Note: The molecular formula of the structure shown is C21H32O3 - which differs from the formula reported for the mass spectrum (C28H51NO3Si2) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H51NO3Si2 |
| InChI | InChI=1S/C28H51NO3Si2/c1-27-16-14-21(32-34(7,8)9)18-20(27)10-11-22-23-12-13-25(28(23,2)17-15-24(22)27)26(29-30-3)19-31-33(4,5)6/h10,21-25H,11-19H2,1-9H3/b29-26- |
| InChIKey | UEUVXEVIVZCSKS-WCTVFOPTSA-N |
| Molecular Weight | 505.890 g/mol |
| SMILES | CC12CCC(CC2=CCC2C3CCC(\C(CO[Si](C)(C)C)=N/OC)C3(C)CCC12)O[Si](C)(C)C |
| SPLASH | splash10-066u-1921100000-f00be793d90eac929a62 |
| Source of Spectrum | FM-2019-715-0 |
| Wiley ID | 1818393 |