(Q105211728)

English

3,4,4a,5-Tetrahydro-4aalpha-hydroxy-5beta-vinyl-6alpha-[4-O-(beta-D-glucopyranosyl)-beta-D-glucopyranosyloxy]-1H,6H-pyrano[3,4-c]pyran-1-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3-[3,4-Dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-ethenyl-4a-hydroxy-3,4,5,6-tetrahydropyrano[3,4-c]pyran-8-one

1 reference

based on heuristic

inferred from SMILES

mass

536.174120324 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₂O₁₅

0 references

canonical SMILES

O=C1OCCC2(O)C1=COC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C2C=C

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isomeric SMILES

C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@]21O

0 references

found in taxon

Swertia japonica

1 reference

stated in

Studies on the constituents of Swertia japonica MAKINO I. On the structures of new secoiridoid diglycosides

Identifiers

InChI

InChI=1S/C22H32O15/c1-2-8-19(33-7-9-18(30)32-4-3-22(8,9)31)37-21-16(29)14(27)17(11(6-24)35-21)36-20-15(28)13(26)12(25)10(5-23)34-20/h2,7-8,10-17,19-21,23-29,31H,1,3-6H2/t8-,10+,11+,12+,13-,14+,15+,16+,17+,19-,20-,21-,22+/m0/s1

0 references

InChIKey

PMTHCFXAEHCMKR-ZDSWRHEGSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105211728)

3,4,4a,5-Tetrahydro-4aalpha-hydroxy-5beta-vinyl-6alpha-[4-O-(beta-D-glucopyranosyl)-beta-D-glucopyranosyloxy]-1H,6H-pyrano[3,4-c]pyran-1-one

Statements

Identifiers

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