For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(3R,5R,8R,9S,10S,13R,14S,17R)-17-[(1R)-3-(2-imidazolin-2-yl)-1-methyl-propyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

Compound with spectra: 1 MS (GC)

(3R,5R,8R,9S,10S,13R,14S,17R)-17-[(1R)-3-(2-imidazolin-2-yl)-1-methyl-propyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID 4Y6cDvK9lxt
InChI InChI=1S/C26H44N2O/c1-17(4-9-24-27-14-15-28-24)21-7-8-22-20-6-5-18-16-19(29)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,29H,4-16H2,1-3H3,(H,27,28)/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1
InChIKey OIWWZBNLXIPEMI-GBURMNQMSA-N
Mol Weight 400.7 g/mol
Molecular Formula C26H44N2O
Exact Mass 400.345364 g/mol
Enantiomer InChIKey OIWWZBNLXIPEMI-JSMQTRRGSA-N

View Spectrum of (3R,5R,8R,9S,10S,13R,14S,17R)-17-[(1R)-3-(2-imidazolin-2-yl)-1-methyl-propyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum G-62-476-4
N-(1-propyl)lithocholylamide
N-(2-THIOETHYL)-3-ALPHA-HYDROXY-5-BETA-CHOLAN-24-AMIDE
N-(1-1,5-diaminopentyl)lithocholylamide
N-(6-caproic acid)lithocholylamide
Taurolithocholic acid
Taurolithocholic acid sodium salt
N-(4-butyric acid)lithocholylamide
2-[[(4R)-4-[(3R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanoic acid
Glycolithocholic acid
Methyl glycolithocholate
Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.