sodium [3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-4-hydroxyphenyl] sulfate

SpectraBase Compound ID	7aayCgGS1pp
InChI	InChI=1S/C36H54O5S.Na/c1-28(2)13-8-14-29(3)15-9-16-30(4)17-10-18-31(5)19-11-20-32(6)21-12-22-33(7)23-24-34-27-35(25-26-36(34)37)41-42(38,39)40;/h13,15,17,19,21,23,25-27,37H,8-12,14,16,18,20,22,24H2,1-7H3,(H,38,39,40);/q;+1/p-1/b29-15+,30-17+,31-19+,32-21+,33-23+;
InChIKey	DVHBNKIYOFLHIN-YLVKWKSSSA-M Google Search
Mol Weight	620.9 g/mol
Molecular Formula	C36H53NaO5S
Exact Mass	620.35114 g/mol

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SpectraBase Spectrum ID	5GUsphsWqDn
Name	sodium [3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-4-hydroxyphenyl] sulfate
Compound Number	2
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C36H53NaO5S
InChI	InChI=1S/C36H54O5S.Na/c1-28(2)13-8-14-29(3)15-9-16-30(4)17-10-18-31(5)19-11-20-32(6)21-12-22-33(7)23-24-34-27-35(25-26-36(34)37)41-42(38,39)40;/h13,15,17,19,21,23,25-27,37H,8-12,14,16,18,20,22,24H2,1-7H3,(H,38,39,40);/q;+1/p-1/b29-15+,30-17+,31-19+,32-21+,33-23+;
InChIKey	DVHBNKIYOFLHIN-YLVKWKSSSA-M
Literature Reference Author	G.BIFULCO,I.BRUNO,L.MINALE,R.RICCIO,C.DEBITUS,G.BOURDY,A.VAS SAS,J.LAVAYRE
Literature Reference Citation	J.NAT.PROD.,58,1444(1995)
Literature Reference DOI	10.1021/np50123a017
Molecular Weight	620.864 g/mol
Solvent	CDCl3
Source File Reference	UWCS23237