(Q105264536)

English

2alpha-(3,4-Dihydroxyphenyl)-7-(6-O-isobutyryl-beta-D-glucopyranosyloxy)-3,4-dihydro-2H-1-benzopyran-3alpha,5alpha-diol 3-acetate

chemical compound

In more languages

Statements

type of chemical entity

0 references

[6-[[3-acetyloxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-3,4-dihydro-2H-chromen-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2-methylpropanoate

1 reference

based on heuristic

inferred from SMILES

564.184291084 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₂O₁₃

0 references

canonical SMILES

O=C(OC1CC2=C(O)C=C(OC3OC(COC(=O)C(C)C)C(O)C(O)C3O)C=C2OC1C4=CC=C(O)C(O)=C4)C

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isomeric SMILES

CC(=O)O[C@@H]1Cc2c(O)cc(O[C@@H]3O[C@H](COC(=O)C(C)C)[C@@H](O)[C@H](O)[C@H]3O)cc2O[C@@H]1c1ccc(O)c(O)c1

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Breynia fruticosa

1 reference

Glycosides from Breynia fruticosa and Breynia rostrata

Identifiers

InChI=1S/C27H32O13/c1-11(2)26(35)36-10-21-22(32)23(33)24(34)27(40-21)38-14-7-17(30)15-9-20(37-12(3)28)25(39-19(15)8-14)13-4-5-16(29)18(31)6-13/h4-8,11,20-25,27,29-34H,9-10H2,1-3H3/t20-,21-,22-,23+,24-,25-,27-/m1/s1

0 references

TTWQECPYMPCSRC-XHQTUGGMSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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