(Q105196038)

English

[(1S,2R,4S,5R,9S,10S,11R)-2-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,12,13-trioxatetracyclo[9.2.2.01,10.05,9]pentadec-14-en-4-yl] (E)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(2-Hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,12,13-trioxatetracyclo[9.2.2.01,10.05,9]pentadec-14-en-4-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

376.152203108 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₄O₇

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canonical SMILES

O=C(OC1CC(O)(C)C23OOC(C=C2)(C)C3C4OC(=O)C(=C)C14)C(=CC)C

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isomeric SMILES

C=C1C(=O)O[C@@H]2[C@@H]3[C@@]4(C=C[C@@]3(C)OO4)[C@](C)(O)C[C@H](OC(=O)/C(C)=C/C)[C@@H]12

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found in taxon

Achillea millefolium

1 reference

stated in

Peroxide als Pflanzeninhaltsstoffe, 14. Mitt.: Über weitere Guaianolid-Peroxide aus der Schafgarbe,Achillea millefolium L.

Identifiers

InChI

InChI=1S/C20H24O7/c1-6-10(2)16(21)24-12-9-19(5,23)20-8-7-18(4,26-27-20)15(20)14-13(12)11(3)17(22)25-14/h6-8,12-15,23H,3,9H2,1-2,4-5H3/b10-6+/t12-,13+,14-,15-,18+,19+,20-/m0/s1

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InChIKey

OPFLLZPIXLWOST-ISOVPUPJSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105196038)

[(1S,2R,4S,5R,9S,10S,11R)-2-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,12,13-trioxatetracyclo[9.2.2.01,10.05,9]pentadec-14-en-4-yl] (E)-2-methylbut-2-enoate

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Identifiers

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