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N-(1-propyl)lithocholylamide
SpectraBase Compound ID JssfauWxjl1
InChI InChI=1S/C27H47NO2/c1-5-16-28-25(30)11-6-18(2)22-9-10-23-21-8-7-19-17-20(29)12-14-26(19,3)24(21)13-15-27(22,23)4/h18-24,29H,5-17H2,1-4H3,(H,28,30)/t18?,19?,20-,21?,22?,23?,24?,26?,27?/m1/s1
InChIKey QOFMNCXEVKAJIY-VSTRSASQSA-N
Mol Weight 417.7 g/mol
Molecular Formula C27H47NO2
Exact Mass 417.36068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID At3Y9Cha0Ll
Name N-(1-propyl)lithocholylamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H47NO2
InChI InChI=1S/C27H47NO2/c1-5-16-28-25(30)11-6-18(2)22-9-10-23-21-8-7-19-17-20(29)12-14-26(19,3)24(21)13-15-27(22,23)4/h18-24,29H,5-17H2,1-4H3,(H,28,30)/t18?,19?,20-,21?,22?,23?,24?,26?,27?/m1/s1
InChIKey QOFMNCXEVKAJIY-VSTRSASQSA-N
Molecular Weight 417.678 g/mol
SMILES O[C@@]1(CCC2(C(CCC3C4C(C(C(CCC(=O)NCCC)C)CC4)(CCC23)C)C1)C)[H]
SPLASH splash10-0w29-0901000000-a611609ccf1f411c7075
Source of Spectrum O-29-335-0
Synonyms (3alpha)-3-hydroxy-N-propylcholan-24-amide 4-((R)-3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid propylamide
Wiley ID 1376918