(Q105342797)

English

[(1S,2R,4S,6S,7S,10R,11R)-12-(hydroxymethyl)-2,7-dimethyl-5,8-dioxo-3,9-dioxatetracyclo[9.3.0.02,4.06,10]tetradec-12-en-1-yl] (E)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[12-(Hydroxymethyl)-2,7-dimethyl-5,8-dioxo-3,9-dioxatetracyclo[9.3.0.02,4.06,10]tetradec-12-en-1-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

0 references

canonical SMILES

O=C(OC12CC=C(CO)C2C3OC(=O)C(C)C3C(=O)C4OC41C)C(=CC)C

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isomeric SMILES

C/C=C(\C)C(=O)O[C@@]12CC=C(CO)[C@@H]1[C@H]1OC(=O)[C@@H](C)[C@@H]1C(=O)[C@H]1O[C@]12C

0 references

found in taxon

Eupatorium perfoliatum

1 reference

stated in

Neue sesquiterpenlactone und andere inhaltsstoffe aus vertretern der Eupatorium-gruppe

Identifiers

InChI

InChI=1S/C20H24O7/c1-5-9(2)17(23)27-20-7-6-11(8-21)13(20)15-12(10(3)18(24)25-15)14(22)16-19(20,4)26-16/h5-6,10,12-13,15-16,21H,7-8H2,1-4H3/b9-5+/t10-,12+,13+,15-,16+,19+,20-/m0/s1

0 references

InChIKey

XVDQKHDMHUCVRG-XILXKLAISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XVDQKHDMHUCVRG-XILXKLAISA-N

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