(Q105219832)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

7-(1,3-Benzodioxol-5-yl)-3-methoxy-6-methyl-5-prop-2-enylbicyclo[3.2.1]octane-2,8-dione

1 reference

based on heuristic

inferred from SMILES

mass

342.146723804 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₂O₅

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

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found in taxon

Mezilaurus itauba

1 reference

stated in

Neolignans from mezilaurus itauba

Identifiers

InChI

InChI=1S/C20H22O5/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/h4-6,8,11,15-17H,1,7,9-10H2,2-3H3/t11-,15+,16+,17-,20-/m1/s1

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InChIKey

QFXCENWTAJTAKA-KRZNVDSPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QFXCENWTAJTAKA-KRZNVDSPSA-N

(Q105219832)

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

Statements

Identifiers

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