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2-Bromo-1,4,8-trimethoxy-7-(3',4',6'-tri-O-benzyl-2'-deoxy-.beta.,D-arabino-hexopyranosyl)naphthalene
SpectraBase Compound ID J59lI7KiKWq
InChI InChI=1S/C40H41BrO7/c1-42-33-21-32(41)39(44-3)37-30(33)19-20-31(38(37)43-2)34-22-35(46-24-28-15-9-5-10-16-28)40(47-25-29-17-11-6-12-18-29)36(48-34)26-45-23-27-13-7-4-8-14-27/h4-21,34-36,40H,22-26H2,1-3H3/t34-,35-,36-,40+/m1/s1
InChIKey NTNZZADRGLAGQQ-MTAHYTDLSA-N
Mol Weight 713.7 g/mol
Molecular Formula C40H41BrO7
Exact Mass 712.203567 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JeTc3BAR6l5
Name 2-Bromo-1,4,8-trimethoxy-7-(3',4',6'-tri-O-benzyl-2'-deoxy-.beta.,D-arabino-hexopyranosyl)naphthalene
Alternate Name(s) (1R)-1,5-anhydro-3,4,6-tri-O-benzyl-1-(7-bromo-1,5,8-trimethoxy-2-naphthyl)-2-deoxy-D-arabino-hexitol
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Formula C40H41BrO7
InChI InChI=1S/C40H41BrO7/c1-42-33-21-32(41)39(44-3)37-30(33)19-20-31(38(37)43-2)34-22-35(46-24-28-15-9-5-10-16-28)40(47-25-29-17-11-6-12-18-29)36(48-34)26-45-23-27-13-7-4-8-14-27/h4-21,34-36,40H,22-26H2,1-3H3/t34-,35-,36-,40+/m1/s1
InChIKey NTNZZADRGLAGQQ-MTAHYTDLSA-N
Molecular Weight 713.665 g/mol
SMILES c12c(c([C@@]3(O[C@](COCc4ccccc4)([C@]([C@@](C3)(OCc3ccccc3)[H])(OCc3ccccc3)[H])[H])[H])ccc1c(OC)cc(c2OC)Br)OC
SPLASH splash10-01ox-8644002900-d2c02b54a0ccffeb56ca
Source of Spectrum K-2001-1632-9
Wiley ID 1579253