(Q105217608)

English

[(2Z,4S,8R,9R,11R)-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (Z)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

(2,11-Dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

[(2Z)-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (E)-2-methylbut-2-enoate

1 reference

1 reference

358.141638424 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(2Z,4S,8R,9R,11R)-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (E)-2-methylbut-2-enoate

1 reference

1 reference

1 reference

[(2Z,4R,8R,9R,11S)-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

[(2Z,4S,8S,9R,11R)-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

[(2Z,4R,8S,9R,11S)-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₂O₆

0 references

canonical SMILES

O=C(OC1CC2(OC(=CC2=O)C(=CC3OC(=O)C(=C)C31)C)C)C(=CC)C

0 references

isomeric SMILES

C=C1C(=O)O[C@H]2/C=C(/C)C3=CC(=O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)O3

0 references

found in taxon

Calea pilosa

1 reference

stated in

Fourteen heliangolides from Calea species

Calea villosa

1 reference

stated in

Three furanoheliangolides from Calea villosa

Identifiers

InChI

InChI=1S/C20H22O6/c1-6-10(2)18(22)25-15-9-20(5)16(21)8-13(26-20)11(3)7-14-17(15)12(4)19(23)24-14/h6-8,14-15,17H,4,9H2,1-3,5H3/b10-6-,11-7-/t14-,15+,17-,20+/m0/s1

0 references

InChIKey

QATUWZPYBIHFFR-PZNJGISSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QATUWZPYBIHFFR-PZNJGISSSA-N

(Q105217608)

[(2Z,4S,8R,9R,11R)-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (Z)-2-methylbut-2-enoate

Statements

Identifiers

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