(Q105279296)

English

[(5R,5aS,6R,9aS,9bS)-5-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-6-yl] (Z)-2-methylbut-2-enoate

group of stereoisomers with the chemical formula C₂₀H₂₆O₅

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Statements

group of stereoisomers

0 references

[(5R,9aS,9bS)-5-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-6-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

346.178023932 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₅

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canonical SMILES

O=C(OC1CC=C(C)C2C3OC(=O)C(=C)C3CC(O)C12C)C(=CC)C

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isomeric SMILES

C=C1C(=O)O[C@H]2C1C[C@@H](O)[C@]1(C)[C@@H]2C(C)=CC[C@H]1OC(=O)/C(C)=C\C

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Pluchea dioscoridis

1 reference

Eudesmanolides from Pluchea dioscoridis

Identifiers

InChI=1S/C20H26O5/c1-6-10(2)18(22)24-15-8-7-11(3)16-17-13(12(4)19(23)25-17)9-14(21)20(15,16)5/h6-7,13-17,21H,4,8-9H2,1-3,5H3/b10-6-/t13?,14-,15-,16-,17+,20+/m1/s1

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UUFLRDLXVUZQGL-XKCUESDGSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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