(Q105194947)

English

[(1S,2S,5R,6S,7R)-7-(1,3-benzodioxol-5-yl)-8-hydroxy-1,3-dimethoxy-6-methyl-5-prop-2-enyl-2-bicyclo[3.2.1]oct-3-enyl] acetate

group of stereoisomers with the chemical formula C₂₃H₂₈O₇

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Statements

group of stereoisomers

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chemical compound

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416.183503236 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₈O₇

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canonical SMILES

O=C(OC1C(OC)=CC2(CC=C)C(O)C1(OC)C(C3=CC=C4OCOC4=C3)C2C)C

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isomeric SMILES

C=CC[C@@]12C=C(OC)[C@H](OC(C)=O)[C@@](OC)(C1O)[C@@H](c1ccc3c(c1)OCO3)[C@@H]2C

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Ocotea catharinensis

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Neolignans from Ocotea catharinensis

Neolignans from Ocotea catharinensis

Identifiers

InChI=1S/C23H28O7/c1-6-9-22-11-18(26-4)20(30-14(3)24)23(27-5,21(22)25)19(13(22)2)15-7-8-16-17(10-15)29-12-28-16/h6-8,10-11,13,19-21,25H,1,9,12H2,2-5H3/t13-,19+,20-,21?,22-,23+/m0/s1

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ONMNNFHHDGPQPH-YECKTGRQSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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