(Q82853500)

English

Methyl 2-acetamido-2-deoxy-4,6-O-[(4-methoxyphenyl)methylidene]-3-O-(2,3,4,6-tetra-O-acetyl-beta-D-galactopyranosyl)-alpha-D-galactopyranoside

group of stereoisomers with the chemical formula C₃₁H₄₁NO₁₆

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

683.2425342319999 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₁NO₁₆

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based on heuristic

inferred from SMILES

canonical SMILES

COc1ccc(C2OCC3OC(OC)C(N=C(C)O)C(OC4OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)C3O2)cc1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

COc1ccc(C2OC[C@H]3O[C@H](OC)[C@H](NC(C)=O)[C@@H](O[C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)[C@H]3O2)cc1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C31H41NO16/c1-14(33)32-23-26(24-22(45-30(23)39-7)13-41-29(47-24)19-8-10-20(38-6)11-9-19)48-31-28(44-18(5)37)27(43-17(4)36)25(42-16(3)35)21(46-31)12-40-15(2)34/h8-11,21-31H,12-13H2,1-7H3,(H,32,33)/t21-,22-,23-,24+,25+,26-,27+,28-,29?,30+,31+/m1/s1

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InChIKey

ZGKQUQNYRXSUFE-BHLJGADGSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID80808748

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(Q82853500)

Methyl 2-acetamido-2-deoxy-4,6-O-[(4-methoxyphenyl)methylidene]-3-O-(2,3,4,6-tetra-O-acetyl-beta-D-galactopyranosyl)-alpha-D-galactopyranoside

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