(Q113960244)

English

[(3R,3aS,6S,6aR)-3,6-bis(1,3-benzodioxol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

412.1158176 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₀O₈

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canonical SMILES

O=C(OC12COC(C3=CC=C4OCOC4=C3)C2COC1C5=CC=C6OCOC6=C5)C

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isomeric SMILES

CC(=O)O[C@]12CO[C@H](c3ccc4c(c3)OCO4)[C@H]1CO[C@@H]2c1ccc2c(c1)OCO2

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found in taxon

Isodon ternifolius

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stated in

Anti-inflammatory lignans and phenylethanoid glycosides from the root of Isodon ternifolius (D.Don) Kudô

Identifiers

InChI

InChI=1S/C22H20O8/c1-12(23)30-22-9-25-20(13-2-4-16-18(6-13)28-10-26-16)15(22)8-24-21(22)14-3-5-17-19(7-14)29-11-27-17/h2-7,15,20-21H,8-11H2,1H3/t15-,20-,21-,22-/m1/s1

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InChIKey

YCBJHDZBRCBHBN-FPHUIIFBSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YCBJHDZBRCBHBN-FPHUIIFBSA-N

1 reference

(Q113960244)

[(3R,3aS,6S,6aR)-3,6-bis(1,3-benzodioxol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-yl] acetate

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Identifiers

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