(Q104921913)

English

(2S,3S)-3-(3,5-Dimethoxy-4-hydroxyphenyl)-6-[(E)-3-hydroxy-1-propenyl]-8-methoxy-2,3-dihydro-1,4-benzodioxin-2-methanol

chemical compound

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No label defined

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Statements

instance of

type of chemical entity

0 references

1 reference

404.147117728 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

4-[(2R,3R)-3-(hydroxymethyl)-7-[(1E)-3-hydroxyprop-1-en-1-yl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-2-yl]-2,6-dimethoxyphenol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₄O₈

0 references

canonical SMILES

OC1=C(OC)C=C(C=C1OC)C2OC3=CC(C=CCO)=CC(OC)=C3OC2CO

0 references

isomeric SMILES

COc1cc([C@@H]2Oc3cc(/C=C/CO)cc(OC)c3O[C@H]2CO)cc(OC)c1O

0 references

found in taxon

Grewia bilamellata

1 reference

stated in

Antimalarial compounds from Grewia bilamellata.

Santalum album

2 references

stated in

Aromatic constituents from the heartwood of Santalum album L

stated in

Lignans from Santalum album and their cytotoxic activities

Zanthoxylum nitidum

1 reference

stated in

Studies on the Chemical Constituents of Xanthoxylum nitidum (Roxb.) D. C. (Fagara nitida Roxb.). III. The Chemical Constituents of the Wood.

Identifiers

InChI

InChI=1S/C21H24O8/c1-25-14-9-13(10-15(26-2)19(14)24)20-18(11-23)29-21-16(27-3)7-12(5-4-6-22)8-17(21)28-20/h4-5,7-10,18,20,22-24H,6,11H2,1-3H3/b5-4+/t18-,20-/m0/s1

0 references

InChIKey

AZTAGXIJLPKJOR-BJUCQYRTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AZTAGXIJLPKJOR-BJUCQYRTSA-N

1 reference

NMRShiftDB structure ID

10028047

1 reference

matched by identifier from

InChIKey

AZTAGXIJLPKJOR-BJUCQYRTSA-N

KNApSAcK ID

C00063219

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

AZTAGXIJLPKJOR-BJUCQYRTSA-N

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