(Q104394837)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

(8-Hydroxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl) 2-methylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

348.157288488 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₄O₆

0 references

canonical SMILES

O=C(OC1CC2(OC2CC(O)C(=CC3OC(=O)C(=C)C31)C)C)C(=C)C

0 references

isomeric SMILES

C=C(C)C(=O)O[C@@H]1C[C@@]2(C)O[C@@H]2C[C@H](O)/C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]21

0 references

found in taxon

Jerusalem artichoke

1 reference

stated in

Isolation of Deacetylviguiestenin and Erioflorin From Helianthus tuberosus

Calea ternifolia

1 reference

stated in

Sesquiterpene lactones from Calea leptocephala

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/C19H24O6/c1-9(2)17(21)24-14-8-19(5)15(25-19)7-12(20)10(3)6-13-16(14)11(4)18(22)23-13/h6,12-16,20H,1,4,7-8H2,2-3,5H3/b10-6-/t12-,13+,14+,15+,16-,19+/m0/s1

0 references

InChIKey

BUIOBTSUIYLOKG-JURZNGMHSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

BUIOBTSUIYLOKG-JURZNGMHSA-N

1 reference

(Q104394837)

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

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Identifiers

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