(Q82578706)

English

Methyl (4aR,6S,7S)-1-(beta-D-glucopyranosyloxy)-4a,6-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

chemical compound

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Statements

group of stereoisomers

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1 reference

406.14751165199993 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₇H₂₆O₁₁

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canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C(C)C(O)CC13O

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isomeric SMILES

COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2[C@H](C)[C@@H](O)C[C@]12O

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Identifiers

InChI=1S/C17H26O11/c1-6-8(19)3-17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)9(4-18)27-16/h5-6,8-13,15-16,18-22,24H,3-4H2,1-2H3/t6-,8+,9-,10?,11-,12+,13-,15?,16+,17+/m1/s1

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IKSXXSBNUQXFLT-IMKNGZHYSA-N

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CAS Registry Number

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26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

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