(Q105322097)

English

[(1R,2S,3S,6R,7S,8R)-6-ethenyl-11-methylidene-5,10-dioxo-7-(3-oxoprop-1-en-2-yl)-4,9-dioxatricyclo[6.3.0.03,6]undecan-2-yl] (E)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(1R,2S,3R,7S,8R)-6-ethenyl-11-methylidene-5,10-dioxo-7-(3-oxoprop-1-en-2-yl)-4,9-dioxatricyclo[6.3.0.0³,⁶]undecan-2-yl (2E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

[6-Ethenyl-11-methylidene-5,10-dioxo-7-(3-oxoprop-1-en-2-yl)-4,9-dioxatricyclo[6.3.0.03,6]undecan-2-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

372.12090298 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2S,3R,6R,7S,8R)-6-ethenyl-11-methylidene-5,10-dioxo-7-(3-oxoprop-1-en-2-yl)-4,9-dioxatricyclo[6.3.0.03,6]undecan-2-yl] (E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₀O₇

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canonical SMILES

O=CC(=C)C1C2OC(=O)C(=C)C2C(OC(=O)C(=CC)C)C3OC(=O)C31C=C

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isomeric SMILES

C=C[C@]12C(=O)O[C@@H]1[C@@H](OC(=O)/C(C)=C/C)[C@@H]1C(=C)C(=O)O[C@@H]1[C@H]2C(=C)C=O

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found in taxon

Disynaphia halimifolia

1 reference

stated in

Two sesquiterpene lactones with an additional propiolactone ring from Disynaphia halimifolia

Identifiers

InChI

InChI=1S/C20H20O7/c1-6-9(3)17(22)26-15-12-11(5)18(23)25-14(12)13(10(4)8-21)20(7-2)16(15)27-19(20)24/h6-8,12-16H,2,4-5H2,1,3H3/b9-6+/t12-,13-,14+,15+,16-,20-/m1/s1

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InChIKey

WYDULPNJVRDGAT-JVHZNCSDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WYDULPNJVRDGAT-JVHZNCSDSA-N

(Q105322097)

[(1R,2S,3S,6R,7S,8R)-6-ethenyl-11-methylidene-5,10-dioxo-7-(3-oxoprop-1-en-2-yl)-4,9-dioxatricyclo[6.3.0.03,6]undecan-2-yl] (E)-2-methylbut-2-enoate

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Identifiers

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