(Q105323600)

English

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

chemical compound

In more languages

Statements

type of chemical entity

0 references

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

1 reference

based on heuristic

inferred from SMILES

346.178023932 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChIKey

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₆O₅

0 references

canonical SMILES

O=C(OC1CC2(C)C(O)CC=C(C)C2C3OC(=O)C(=C)C13)C(=CC)C

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isomeric SMILES

C=C1C(=O)O[C@@H]2[C@H]3C(C)=CC[C@H](O)[C@]3(C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12

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Anthemis carpatica

1 reference

Sesquiterpene lactones as chemotaxonomic markers in genus Anthemis

Identifiers

InChI=1S/C20H26O5/c1-6-10(2)18(22)24-13-9-20(5)14(21)8-7-11(3)16(20)17-15(13)12(4)19(23)25-17/h6-7,13-17,21H,4,8-9H2,1-3,5H3/b10-6-/t13-,14-,15+,16+,17-,20-/m0/s1

0 references

WZWXPRLLGMOTNN-HETDGHHQSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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