(Q104991702)

English

(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-2-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

4-(1,3-Benzodioxol-5-ylmethyl)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

386.136553044 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3beta-(4-Hydroxy-3,5-dimethoxybenzyl)-4alpha-[(1,3-benzodioxol-6-yl)methyl]dihydrofuran-2(3H)-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₂O₇

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canonical SMILES

O=C1OCC(CC2=CC=C3OCOC3=C2)C1CC4=CC(OC)=C(O)C(OC)=C4

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isomeric SMILES

COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1O

0 references

found in taxon

Thuja occidentalis

2 references

stated in

4-O-Demethylyatein from the branch wood ofThuja occidentalis

stated in

Identification of Thuja occidentalis lignans and its biosynthetic relationship

Identifiers

InChI

InChI=1S/C21H22O7/c1-24-18-8-13(9-19(25-2)20(18)22)6-15-14(10-26-21(15)23)5-12-3-4-16-17(7-12)28-11-27-16/h3-4,7-9,14-15,22H,5-6,10-11H2,1-2H3/t14-,15+/m0/s1

0 references

InChIKey

DZBHCHXEAGTVGF-LSDHHAIUSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

DZBHCHXEAGTVGF-LSDHHAIUSA-N

1 reference

(Q104991702)

(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-2-one

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Identifiers

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