Undecanoic acid, 11-[bis(2-hydroxyethyl)amino]-, cholest-5-en-3-yl ester

SpectraBase Compound ID	3KYN8na1ERk
InChI	InChI=1S/C42H75NO4/c1-32(2)15-14-16-33(3)37-20-21-38-36-19-18-34-31-35(22-24-41(34,4)39(36)23-25-42(37,38)5)47-40(46)17-12-10-8-6-7-9-11-13-26-43(27-29-44)28-30-45/h18,32-33,35-39,44-45H,6-17,19-31H2,1-5H3
InChIKey	MEVWRVGJXHOBLO-UHFFFAOYSA-N Google Search
Mol Weight	658.1 g/mol
Molecular Formula	C42H75NO4
Exact Mass	657.56961 g/mol

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SpectraBase Spectrum ID	CZ97BZ1cgyy
Name	Undecanoic acid, 11-[bis(2-hydroxyethyl)amino]-, cholest-5-en-3-yl ester
Alternate Name(s)	10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 11-(bis(2-hydroxyethyl)amino)undecanoate Cholest-5-en-3-yl 11-[bis(2-hydroxyethyl)amino]undecanoate 11-[bis(2-hydroxyethyl)amino]undecanoic acid [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 11-[bis(2-hydroxyethyl)amino]undecanoate [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 11-[bis(2-hydroxyethyl)amino]undecanoate
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Formula	C42H75NO4
InChI	InChI=1S/C42H75NO4/c1-32(2)15-14-16-33(3)37-20-21-38-36-19-18-34-31-35(22-24-41(34,4)39(36)23-25-42(37,38)5)47-40(46)17-12-10-8-6-7-9-11-13-26-43(27-29-44)28-30-45/h18,32-33,35-39,44-45H,6-17,19-31H2,1-5H3
InChIKey	MEVWRVGJXHOBLO-UHFFFAOYSA-N
Molecular Weight	658.065 g/mol
SMILES	OCCN(CCO)CCCCCCCCCCC(OC1CC2=CCC3C4CCC(C(CCCC(C)C)C)C4(CCC3C2(CC1)C)C)=O
SPLASH	splash10-004i-9732007000-cdd422b1225ce92c0707
Source of Spectrum	JX-2015-4-1398
Wiley ID	1726786