(Q105145283)

English

[(1R,2R,4R,6R,8S,9E,11R)-8-acetyloxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

(8-Acetyloxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl) 2,3-dimethyloxirane-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

420.178417856 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2R,4R,6R,8S,9Z,11R)-8-acetyloxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] (2S,3S)-2,3-dimethyloxirane-2-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,2R,4R,6R,8S,9Z,11R)-8-acetyloxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,2R,4S,6R,8S,9Z,11R)-8-acetyloxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] (2R,3S)-2,3-dimethyloxirane-2-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,2R,4R,6R,8S,9E,11R)-8-acetyloxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] (2S,3S)-2,3-dimethyloxirane-2-carboxylate

1 reference

based on heuristic

inferred from InChI

[(1R,2R,4S,6R,8S,9Z,11R)-8-acetyloxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] (2S,3R)-2,3-dimethyloxirane-2-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₈O₈

0 references

canonical SMILES

O=C1OC2C=C(C)C(OC(=O)C)CC3OC3(C)CC(OC(=O)C4(OC4C)C)C2C1=C

0 references

isomeric SMILES

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

0 references

found in taxon

Dendroviguiera eriophora

1 reference

stated in

Sesquiterpene lactones in Viguiera eriophora and Viguiera puruana (Heliantheae; Asteraceae)

Dendroviguiera puruana

1 reference

stated in

Sesquiterpene lactones in Viguiera eriophora and Viguiera puruana (Heliantheae; Asteraceae)

Identifiers

InChI

InChI=1S/C22H28O8/c1-10-7-15-18(11(2)19(24)27-15)16(28-20(25)22(6)12(3)29-22)9-21(5)17(30-21)8-14(10)26-13(4)23/h7,12,14-18H,2,8-9H2,1,3-6H3/b10-7+/t12-,14+,15-,16-,17-,18+,21-,22-/m1/s1

0 references

InChIKey

KRXYZCKNMRDIQF-TUJWVLNDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KRXYZCKNMRDIQF-TUJWVLNDSA-N

(Q105145283)

[(1R,2R,4R,6R,8S,9E,11R)-8-acetyloxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate

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