3-[(15-Carboxypentadecanoyl)oxy]-4-(trimethylammonio)butanoate

SpectraBase Compound ID	7aQ9OOPnej7
InChI	InChI=1S/C23H43NO6/c1-24(2,3)19-20(18-22(27)28)30-23(29)17-15-13-11-9-7-5-4-6-8-10-12-14-16-21(25)26/h20H,4-19H2,1-3H3,(H-,25,26,27,28)
InChIKey	UNHCPLSWMNPZTD-UHFFFAOYSA-N Google Search
Mol Weight	429.6 g/mol
Molecular Formula	C23H43NO6
Exact Mass	429.309038 g/mol

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SpectraBase Spectrum ID	3G32ctbOK0n
Name	3-[(15-Carboxypentadecanoyl)oxy]-4-(trimethylammonio)butanoate
CAS Registry Number	55570-92-8
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C23H43NO6
InChI	InChI=1S/C23H43NO6/c1-24(2,3)19-20(18-22(27)28)30-23(29)17-15-13-11-9-7-5-4-6-8-10-12-14-16-21(25)26/h20H,4-19H2,1-3H3,(H-,25,26,27,28)
InChIKey	UNHCPLSWMNPZTD-UHFFFAOYSA-N
Molecular Weight	429.598 g/mol
SMILES	OC(CCCCCCCCCCCCCCC(OC(C[N+](C)(C)C)CC([O-])=O)=O)=O
SPLASH	splash10-0a5d-9000000000-797510da690d12a78099
Source of Spectrum	AB-306-5-1
Synonyms	3-(16-hydroxy-16-oxohexadecanoyl)oxy-4-(trimethylazaniumyl)butanoate 3-(16-oxidanyl-16-oxidanylidene-hexadecanoyl)oxy-4-(trimethylazaniumyl)butanoate 3-(15-carboxy-1-oxopentadecoxy)-4-(trimethylammonio)butanoate 3-(15-carboxypentadecanoyloxy)-4-(trimethylazaniumyl)butanoate 3-(15-carboxypentadecanoyloxy)-4-(trimethylammonio)butanoate
Wiley ID	1381185