(Q104960691)

English

(1S,2R,3R,6R,10R)-2-(1,3-benzodioxol-5-yl)-7,8-dimethoxy-10-prop-2-enyl-5-oxatricyclo[4.3.1.03,10]dec-7-en-9-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

370.141638424 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₂O₆

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canonical SMILES

O=C1C(OC)=C(OC)C2OCC3C(C4=CC=C5OCOC5=C4)C1C23CC=C

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isomeric SMILES

C=CC[C@@]12[C@H]3C(=O)C(OC)=C(OC)[C@@H]1OC[C@@H]2[C@H]3c1ccc2c(c1)OCO2

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found in taxon

Beilschmiedia kunstleri

1 reference

stated in

(+)-Kunstlerone, a new antioxidant neolignan from the Leaves of Beilschmiedia kunstleri gamble.

Identifiers

InChI

InChI=1S/C21H22O6/c1-4-7-21-12-9-25-20(21)19(24-3)18(23-2)17(22)16(21)15(12)11-5-6-13-14(8-11)27-10-26-13/h4-6,8,12,15-16,20H,1,7,9-10H2,2-3H3/t12-,15-,16-,20+,21-/m1/s1

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InChIKey

CIYZXQSKZRSLTE-YMQVBBKESA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CIYZXQSKZRSLTE-YMQVBBKESA-N

(Q104960691)

(1S,2R,3R,6R,10R)-2-(1,3-benzodioxol-5-yl)-7,8-dimethoxy-10-prop-2-enyl-5-oxatricyclo[4.3.1.03,10]dec-7-en-9-one

Statements

Identifiers

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