((E,2'S)-2'-hydroxy-1'-[6-O-(13-methyltetradecanoyl)-.beta.-D-glucopyranosyloxy]-3',4'-didehydro-1',2'-dihydro-.beta.,.psi.-caroten-4-one)

SpectraBase Compound ID	BDpsYbaRSSN
InChI	InChI=1S/C61H92O9/c1-44(2)27-20-18-16-14-13-15-17-19-21-36-55(64)68-43-53-56(65)57(66)58(67)59(69-53)70-61(11,12)54(63)40-38-49(7)35-26-33-47(5)32-24-30-45(3)28-22-23-29-46(4)31-25-34-48(6)37-39-51-50(8)52(62)41-42-60(51,9)10/h22-26,28-35,37-40,44,53-54,56-59,63,65-67H,13-21,27,36,41-43H2,1-12H3/b23-22+,30-24+,31-25+,33-26+,39-37+,40-38+,45-28+,46-29+,47-32+,48-34+,49-35+/t53-,54+,56-,57+,58-,59+/m1/s1
InChIKey	BUNXUZXQWPTVHM-HCSLVYINSA-N Google Search
Mol Weight	969.4 g/mol
Molecular Formula	C61H92O9
Exact Mass	968.674135 g/mol

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SpectraBase Spectrum ID	ApUURUpni5z
Name	((E,2'S)-2'-hydroxy-1'-[6-O-(13-methyltetradecanoyl)-.beta.-D-glucopyranosyloxy]-3',4'-didehydro-1',2'-dihydro-.beta.,.psi.-caroten-4-one)
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C61H92O9
InChI	InChI=1S/C61H92O9/c1-44(2)27-20-18-16-14-13-15-17-19-21-36-55(64)68-43-53-56(65)57(66)58(67)59(69-53)70-61(11,12)54(63)40-38-49(7)35-26-33-47(5)32-24-30-45(3)28-22-23-29-46(4)31-25-34-48(6)37-39-51-50(8)52(62)41-42-60(51,9)10/h22-26,28-35,37-40,44,53-54,56-59,63,65-67H,13-21,27,36,41-43H2,1-12H3/b23-22+,30-24+,31-25+,33-26+,39-37+,40-38+,45-28+,46-29+,47-32+,48-34+,49-35+/t53-,54+,56-,57+,58-,59+/m1/s1
InChIKey	BUNXUZXQWPTVHM-HCSLVYINSA-N
Instrument Name	Finnigan MAT 95 XL
Ionization Type	EI
Literature Reference DOI	10.1021/np020125c
Molecular Weight	969.398 g/mol
SMILES	O[C@@]1([C@]([C@@]([C@](O[C@]1(OC([C@](\C=C\C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C=1C(CCC(C1C)=O)(C)C)C)C)C)C)C)(O)[H])(C)C)[H])(COC(=O)CCCCCCCCCCCC(C)C)[H])(O)[H])(O)[H])[H]
SPLASH	splash10-0006-9020110000-034a5e786e6e52a40160
Source of Spectrum	G4-65-1343-1
Synonyms	Salinixanthin
Wiley ID	1883864