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Verbascose, heptadeca-O-TMS-

View entire compound with spectra: 1 MS (GC)

Verbascose, heptadeca-O-TMS-
SpectraBase Compound ID IouopU6Hmqk
InChI InChI=1S/C81H188O26Si17/c1-108(2,3)85-55-61-66(97-114(19,20)21)70(101-118(31,32)33)74(105-122(43,44)45)79(90-61)83-53-59-64(95-112(13,14)15)68(99-116(25,26)27)72(103-120(37,38)39)77(88-59)82-52-58-63(94-111(10,11)12)69(100-117(28,29)30)73(104-121(40,41)42)78(89-58)84-54-60-65(96-113(16,17)18)71(102-119(34,35)36)75(106-123(46,47)48)80(91-60)93-81(57-87-110(7,8)9)76(107-124(49,50)51)67(98-115(22,23)24)62(92-81)56-86-109(4,5)6/h58-80H,52-57H2,1-51H3/t58-,59-,60-,61-,62-,63+,64+,65-,66+,67-,68+,69+,70+,71+,72-,73-,74-,75-,76+,77+,78+,79+,80-,81+/m1/s1
InChIKey YTCNJOYMDNAZNH-PCUMSEPRSA-N
Mol Weight 2055.8 g/mol
Molecular Formula C81H188O26Si17
Exact Mass 2052.946637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D3IyHZF5jS1
Name Verbascose, heptadeca-O-TMS-
Alternate Name(s) (2R,3R,4S,5S,6R)-2-(((2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-6-((((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-((((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-((((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-3,4,5-triol, heptadeca-O-TMS- (((2S,3R,4S,5S,6R)-2-(((2R,3S,4S,5R,6S)-6-(((2R,3S,4S,5R,6S)-6-(((2R,3R,4S,5R,6R)-6-(((2S,3S,4R,5R)-3,4-bis((trimethylsilyl)oxy)-2,5-bis(((trimethylsilyl)oxy)methyl)tetrahydrofuran-2-yl)oxy)-3,4,5-tris((trimethylsilyl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)-3,4,5-tris((trimethylsilyl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)-3,4,5-tris((trimethylsilyl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)-6-(((trimethylsilyl)oxy)methyl)tetrahydro-2H-pyran-3,4,5-triyl)tris(oxy))tris(trimethylsilane)
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Formula C81H188O26Si17
InChI InChI=1S/C81H188O26Si17/c1-108(2,3)85-55-61-66(97-114(19,20)21)70(101-118(31,32)33)74(105-122(43,44)45)79(90-61)83-53-59-64(95-112(13,14)15)68(99-116(25,26)27)72(103-120(37,38)39)77(88-59)82-52-58-63(94-111(10,11)12)69(100-117(28,29)30)73(104-121(40,41)42)78(89-58)84-54-60-65(96-113(16,17)18)71(102-119(34,35)36)75(106-123(46,47)48)80(91-60)93-81(57-87-110(7,8)9)76(107-124(49,50)51)67(98-115(22,23)24)62(92-81)56-86-109(4,5)6/h58-80H,52-57H2,1-51H3/t58-,59-,60-,61-,62-,63+,64+,65-,66+,67-,68+,69+,70+,71+,72-,73-,74-,75-,76+,77+,78+,79+,80-,81+/m1/s1
InChIKey YTCNJOYMDNAZNH-PCUMSEPRSA-N
Literature Reference DOI 10.1016/j.chroma.2017.01.001
Molecular Weight 2055.814 g/mol
SMILES [C@@]1([C@@]([C@]([C@@]([C@](O1)(CO[C@@]1([C@@]([C@]([C@]([C@](O1)(CO[C@@]1([C@@]([C@]([C@]([C@](O1)(CO[C@@]1([C@@]([C@]([C@]([C@](O1)(CO[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])[H])[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])[H])[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])[H])[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[C@@]1(O[C@@]([C@]([C@@]1(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(CO[Si](C)(C)C)[H])CO[Si](C)(C)C)[H]
SPLASH splash10-0uxr-1492000000-55ec9008d4a904031411
Source of Spectrum L.Ruiz-Aceituno, et al. Journal of Chromatography A, 1484, 58-64
Wiley ID 1816269