(Q105324158)

English

[(1S,2R,4S,7S,8S)-3,3,7,9-tetramethyl-11-oxo-4-tricyclo[5.4.0.02,8]undec-9-enyl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(3,3,7,9-Tetramethyl-11-oxo-4-tricyclo[5.4.0.02,8]undec-9-enyl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

316.203844756 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2S,4R,7R,8R)-3,3,7,9-tetramethyl-11-oxo-4-tricyclo[5.4.0.02,8]undec-9-enyl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChIKey

(1S,2R,4R,7S,8S)-3,3,7,9-tetramethyl-11-oxotricyclo[5.4.0.0²,⁸]undec-9-en-4-yl (2E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₃

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canonical SMILES

O=C(OC1CCC2(C)C3C(=O)C=C(C)C2C3C1(C)C)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@H]1CC[C@]2(C)[C@H]3C(=O)C=C(C)[C@@H]2[C@H]3C1(C)C

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found in taxon

Eupatorium hyssopifolium

1 reference

stated in

Neue sesquiterpenlactone und andere inhaltsstoffe aus vertretern der Eupatorium-gruppe

Identifiers

InChI

InChI=1S/C20H28O3/c1-7-11(2)18(22)23-14-8-9-20(6)15-12(3)10-13(21)16(20)17(15)19(14,4)5/h7,10,14-17H,8-9H2,1-6H3/b11-7-/t14-,15+,16-,17+,20-/m0/s1

0 references

InChIKey

XAVBAMQBZQMIJG-LZGMHVLLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XAVBAMQBZQMIJG-LZGMHVLLSA-N

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