(Q105346489)

English

(1R,5R,6S,7S)-3-Methoxy-5-allyl-6-methyl-7-(1,3-benzodioxol-5-yl)bicyclo[3.2.1]oct-3-ene-2,8-dione

chemical compound

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instance of

type of chemical entity

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subclass of

7-(2H-1,3-benzodioxol-5-yl)-3-methoxy-6-methyl-5-(prop-2-en-1-yl)bicyclo[3.2.1]oct-3-ene-2,8-dione

1 reference

based on heuristic

inferred from SMILES

(1S,5R)-7-(2H-1,3-benzodioxol-5-yl)-3-methoxy-6-methyl-5-(prop-2-en-1-yl)bicyclo[3.2.1]oct-3-ene-2,8-dione

1 reference

based on heuristic

inferred from SMILES

mass

340.13107374 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,5R,6S,7R)-7-(1,3-benzodioxol-5-yl)-3-methoxy-6-methyl-5-prop-2-enylbicyclo[3.2.1]oct-3-ene-2,8-dione

1 reference

based on heuristic

inferred from InChIKey

1 reference

C₂₀H₂₀O₅

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canonical SMILES

O=C1C(OC)=CC2(C(=O)C1C(C3=CC=C4OCOC4=C3)C2C)CC=C

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isomeric SMILES

C=CC[C@@]12C=C(OC)C(=O)[C@@H](C1=O)[C@@H](c1ccc3c(c1)OCO3)[C@@H]2C

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found in taxon

Magnolia denudata

1 reference

stated in

Bicyclo[3.2.1]octane and 6-oxabicyclo[3.2.2]nonane type neolignans from Magnolia denudata

Ocotea porosa

1 reference

stated in

Neolignans from bark and leaves of Ocotea porosa

Identifiers

InChI

InChI=1S/C20H20O5/c1-4-7-20-9-15(23-3)18(21)17(19(20)22)16(11(20)2)12-5-6-13-14(8-12)25-10-24-13/h4-6,8-9,11,16-17H,1,7,10H2,2-3H3/t11-,16+,17-,20-/m0/s1

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InChIKey

YCTWRMSXONXESR-KXIGNHSDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YCTWRMSXONXESR-KXIGNHSDSA-N

1 reference

(Q105346489)

(1R,5R,6S,7S)-3-Methoxy-5-allyl-6-methyl-7-(1,3-benzodioxol-5-yl)bicyclo[3.2.1]oct-3-ene-2,8-dione

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Identifiers

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