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(2',3',4',6'-Tetra-O-benzyl-b-D-glucopyranosyloxy)naphthalene
SpectraBase Compound ID EmE0Tpn3Ni1
InChI InChI=1S/C44H42O6/c1-5-16-33(17-6-1)28-45-32-40-41(46-29-34-18-7-2-8-19-34)42(47-30-35-20-9-3-10-21-35)43(48-31-36-22-11-4-12-23-36)44(50-40)49-39-27-15-25-37-24-13-14-26-38(37)39/h1-27,40-44H,28-32H2/t40-,41-,42+,43-,44-/m1/s1
InChIKey BXDBHLPQEFJRDM-LUKFIAJXSA-N
Mol Weight 666.8 g/mol
Molecular Formula C44H42O6
Exact Mass 666.298139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CKLs3W49wIw
Name (2',3',4',6'-Tetra-O-benzyl-b-D-glucopyranosyloxy)naphthalene
Appearance White needles
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Exact Mass 666.298139066 u
Formula C44H42O6
InChI InChI=1S/C44H42O6/c1-5-16-33(17-6-1)28-45-32-40-41(46-29-34-18-7-2-8-19-34)42(47-30-35-20-9-3-10-21-35)43(48-31-36-22-11-4-12-23-36)44(50-40)49-39-27-15-25-37-24-13-14-26-38(37)39/h1-27,40-44H,28-32H2/t40-,41-,42+,43-,44-/m1/s1
InChIKey BXDBHLPQEFJRDM-LUKFIAJXSA-N
Instrument Name VG70-250S
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0002.704
Molecular Weight 666.814 g/mol
Optical Rotation [a]D18 = -42.3 (c = 1.06, CHCl3)
Quality 53
SMILES C1=C(C2=C(C=C1)C=CC=C2)O[C@]1([C@@]([C@]([C@@]([C@](O1)(COCC1=CC=CC=C1)[H])(OCC1=CC=CC=C1)[H])(OCC1=CC=CC=C1)[H])(OCC1=CC=CC=C1)[H])[H]
SPLASH splash10-0006-9100000000-01e4da55da9787b3024f
Source of Spectrum ARK-2001-44-11 (DOI: 10.3998/ark.5550190.0002.704)
Wiley ID 1908799