Registration Dossier

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Reference substances

Reference substances

IUPAC name:
3-ethoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzaldehyde

Inventory

CAS number:
122397-96-0
Synonyms
Names:
Identifier:
IUPAC name
2-Ethoxy-4-formylphenyl β-D-glucopyranoside
Identifier:
other: InChl
InChI=1S/C15H20O8/c1-2-21-10-5-8(6-16)3-4-9(10)22-15-14(20)13(19)12(18)11(7-17)23-15/h3-6,11-15,17-20H,2,7H2,1H3/t11-,12-,13+,14-,15-/m1/s1
Identifier:
other: SMILES notation
O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OCC)c1
2-Ethoxy-4-formylphenyl β-D-glucopyranoside

Molecular and structural information

Molecular formula:
C15H20O8
Molecular weight:
ca. 328.315
SMILES notation:
O=Cc2ccc(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c(OCC)c2
InChl:
1/C15H20O8/c1-2-21-10-5-8(6-16)3-4-9(10)22-15-14(20)13(19)12(18)11(7-17)23-15/h3-6,11-15,17-20H,2,7H2,1H3/t11-,12-,13+,14-,15-
/m1/s1
Structural formula:
Chemical structure

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