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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

Compound with spectra: 1 MS (GC)

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
SpectraBase Compound ID GIftCc6RCwn
InChI InChI=1S/C26H43NO4/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31)/t16-,17?,18-,19+,20-,21+,22+,25+,26-/m1/s1
InChIKey XBSQTYHEGZTYJE-BPNNUEQISA-N
Mol Weight 433.6 g/mol
Molecular Formula C26H43NO4
Exact Mass 433.319209 g/mol
Enantiomer InChIKey XBSQTYHEGZTYJE-VHPMTOMWSA-N

View Spectrum of 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

MS (GC) Spectrum
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Source of Spectrum BS-5-78-0
Glycolithocholic acid
Methyl glycolithocholate
N-(1-propyl)lithocholylamide
N-(2-THIOETHYL)-3-ALPHA-HYDROXY-5-BETA-CHOLAN-24-AMIDE
N-(1-1,5-diaminopentyl)lithocholylamide
N-(4-butyric acid)lithocholylamide
Taurolithocholic acid sodium salt
3-Hydroxycholan-24-ohydrazide
4-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid methyl ester
(3a,5B)-Lithocholic acid, methyl ester
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