(Q105235864)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

mass

360.157288488 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

(Z)-2-Methyl-2-butenoic acid (3aS,4S,6R,10R,11aR)-2,3,3a,4,5,6,7,10,11,11a-decahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₄O₆

0 references

canonical SMILES

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

0 references

isomeric SMILES

C=C1C(=O)O[C@@H]2C[C@H](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 ternifolia

1 reference

stated in

Sesquiterpene lactones of Calea zacatechichi and C. urticifolia

Identifiers

InChI

InChI=1S/C20H24O6/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/h6,8,11,14-15,17H,4,7,9H2,1-3,5H3/b10-6+/t11-,14+,15+,17+,20+/m0/s1

0 references

InChIKey

RGICTLGHLBXZLL-GTDOJMPFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RGICTLGHLBXZLL-GTDOJMPFSA-N

(Q105235864)

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

Statements

Identifiers

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