(Q105346491)

English

(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

group of stereoisomers with the chemical formula C₂₀H₂₀O₅

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Statements

group of stereoisomers

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chemical compound

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340.13107374 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

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(c1ccc3c(c1)OCO3)C2C

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Identifiers

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+/m1/s1

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YCTWRMSXONXESR-VNXHRDFASA-N

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1 reference

based on heuristic

inferred from InChIKey

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