3-beta-hydroxy-5-beta-pregnan-20-one, 1TMS, 1MEOX

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 Google Search
Mol Weight	419.7 g/mol
Molecular Formula	C25H45NO2Si
Exact Mass	419.321956 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	JBcF2HhuqrV
Name	3-beta-hydroxy-5-beta-pregnan-20-one, 1TMS, 1MEOX
Alternate Name(s)	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
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
Wiley ID	1818057