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5-Methoxy-6-(3',4',6'-tri-O-benzyl-2'-deoxy-.beta.,D-arabino-hexopyranosyl)-1,4-naphthoquinone
SpectraBase Compound ID JbtB8bS1y3P
InChI InChI=1S/C38H36O7/c1-41-37-30(18-17-29-31(39)19-20-32(40)36(29)37)33-21-34(43-23-27-13-7-3-8-14-27)38(44-24-28-15-9-4-10-16-28)35(45-33)25-42-22-26-11-5-2-6-12-26/h2-20,33-35,38H,21-25H2,1H3/t33-,34-,35-,38+/m1/s1
InChIKey WHQDEKZQWLXUMX-HOBSEHJNSA-N
Mol Weight 604.7 g/mol
Molecular Formula C38H36O7
Exact Mass 604.246103 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Daq2rcIj4Vi
Name 5-Methoxy-6-(3',4',6'-tri-O-benzyl-2'-deoxy-.beta.,D-arabino-hexopyranosyl)-1,4-naphthoquinone
Alternate Name(s) 6-[(2R,4R,5S,6R)-4,5-bis(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]-5-methoxy-1,4-dihydronaphthalene-1,4-dione
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Formula C38H36O7
InChI InChI=1S/C38H36O7/c1-41-37-30(18-17-29-31(39)19-20-32(40)36(29)37)33-21-34(43-23-27-13-7-3-8-14-27)38(44-24-28-15-9-4-10-16-28)35(45-33)25-42-22-26-11-5-2-6-12-26/h2-20,33-35,38H,21-25H2,1H3/t33-,34-,35-,38+/m1/s1
InChIKey WHQDEKZQWLXUMX-HOBSEHJNSA-N
Molecular Weight 604.699 g/mol
SMILES c12c(c([C@@]3(O[C@](COCc4ccccc4)([C@]([C@@](C3)(OCc3ccccc3)[H])(OCc3ccccc3)[H])[H])[H])ccc1C(=O)C=CC2=O)OC
SPLASH splash10-0006-9010400000-da4be04a8d3130337902
Source of Spectrum K-2001-1631-21
Wiley ID 1579271