(2S,3R,4E,8E)-2-[(R)-2-Acetoxydocosanoylamino]-4,8-octadecadiene-1,3-diol

SpectraBase Compound ID	46TJvXgF34w
InChI	InChI=1S/C42H79NO5/c1-4-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-34-36-41(48-38(3)45)42(47)43-39(37-44)40(46)35-33-31-29-27-25-23-17-15-13-11-9-7-5-2/h25,27,33,35,39-41,44,46H,4-24,26,28-32,34,36-37H2,1-3H3,(H,43,47)/b27-25+,35-33+/t39-,40+,41+/m0/s1
InChIKey	HDXCLZNWMQMYBL-HRXYQXDCSA-N Google Search
Mol Weight	678.1 g/mol
Molecular Formula	C42H79NO5
Exact Mass	677.595825 g/mol

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SpectraBase Spectrum ID	8bYCdB6Yne2
Name	(2S,3R,4E,8E)-2-[(R)-2-Acetoxydocosanoylamino]-4,8-octadecadiene-1,3-diol
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C42H79NO5
InChI	InChI=1S/C42H79NO5/c1-4-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-34-36-41(48-38(3)45)42(47)43-39(37-44)40(46)35-33-31-29-27-25-23-17-15-13-11-9-7-5-2/h25,27,33,35,39-41,44,46H,4-24,26,28-32,34,36-37H2,1-3H3,(H,43,47)/b27-25+,35-33+/t39-,40+,41+/m0/s1
InChIKey	HDXCLZNWMQMYBL-HRXYQXDCSA-N
Molecular Weight	678.096 g/mol
SMILES	N(C([C@](OC(=O)C)(CCCCCCCCCCCCCCCCCCCC)[H])=O)[C@]([C@](O)(\C=C\CC\C=C\CCCCCCCCC)[H])(CO)[H]
SPLASH	splash10-0006-9002100000-665fd0dbf3bac18092b9
Source of Spectrum	CJC-21-941-11
Synonyms	(R)-1-(((2S,3R,4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl)amino)-1-oxodocosan-2-yl acetate Acetic acid [(2R)-1-[[(2S,3R,4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]amino]-1-oxodocosan-2-yl] ester [(2R)-1-[[(2S,3R,4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]amino]-1-oxodocosan-2-yl] acetate [(1R)-1-[[(1S,2R,3E,7E)-2-hydroxy-1-(hydroxymethyl)heptadeca-3,7-dienyl]carbamoyl]henicosyl] acetate [(2R)-1-[[(2S,3R,4E,8E)-1,3-bis(oxidanyl)octadeca-4,8-dien-2-yl]amino]-1-oxidanylidene-docosan-2-yl] ethanoate
Wiley ID	1773830