(Q105127839)

English

[(1S,2S,5S,8R,9R,10S,12R,14S)-10-hydroxy-5,9,14-trimethyl-4-oxo-3,13-dioxatetracyclo[7.5.0.02,6.012,14]tetradecan-8-yl] (Z)-2-methylbut-2-enoate

group of stereoisomers with the chemical formula C₂₀H₂₈O₆

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Statements

instance of

group of stereoisomers

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subclass of

eudesmane sesquiterpenoid

1 reference

inferred from

eudesmane sesquiterpenoid

mass

364.188588616 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₆

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canonical SMILES

O=C(OC1CC2C(OC(=O)C2C)C3C4(OC4CC(O)C13C)C)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@@H]1CC2[C@H](C)C(=O)O[C@@H]2[C@H]2[C@]3(C)O[C@@H]3C[C@H](O)[C@@]21C

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found in taxon

Pluchea dioscoridis

1 reference

stated in

Eudesmanolides from Pluchea dioscoridis

Identifiers

InChI

InChI=1S/C20H28O6/c1-6-9(2)17(22)24-13-7-11-10(3)18(23)25-15(11)16-19(13,4)12(21)8-14-20(16,5)26-14/h6,10-16,21H,7-8H2,1-5H3/b9-6-/t10-,11?,12-,13+,14+,15-,16+,19+,20+/m0/s1

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InChIKey

JHAYXWWXUGLOHK-QGBCZBPOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JHAYXWWXUGLOHK-QGBCZBPOSA-N

(Q105127839)

[(1S,2S,5S,8R,9R,10S,12R,14S)-10-hydroxy-5,9,14-trimethyl-4-oxo-3,13-dioxatetracyclo[7.5.0.02,6.012,14]tetradecan-8-yl] (Z)-2-methylbut-2-enoate

Statements

Identifiers

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