(Q105115832)

English

[(1S,2R,3R,6R,7S,8R,9R,12S)-9-hydroxy-1,6,12-trimethyl-5-oxo-4,10,11-trioxatetracyclo[7.6.0.02,12.03,7]pentadec-14-en-8-yl] (2S,3S)-2,3-dimethyloxirane-2-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(9-Hydroxy-1,6,12-trimethyl-5-oxo-4,10,11-trioxatetracyclo[7.6.0.02,12.03,7]pentadec-14-en-8-yl) 2,3-dimethyloxirane-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

394.162767792 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₈

0 references

canonical SMILES

O=C1OC2C(C(OC(=O)C3(OC3C)C)C4(O)OOC5(C)CC=CC4(C)C25)C1C

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isomeric SMILES

C[C@@H]1O[C@]1(C)C(=O)O[C@@H]1[C@H]2[C@@H](C)C(=O)O[C@H]2[C@@H]2[C@]3(C)CC=C[C@]2(C)[C@@]1(O)OO3

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found in taxon

Montanoa hibiscifolia

1 reference

stated in

Sesquiterpene lactones from Montanoa hibiscifolia that inhibit the transcription factor NF-kappa B.

Identifiers

InChI

InChI=1S/C20H26O8/c1-9-11-12(24-15(9)21)13-17(3)7-6-8-18(13,4)27-28-20(17,23)14(11)25-16(22)19(5)10(2)26-19/h6-7,9-14,23H,8H2,1-5H3/t9-,10+,11+,12-,13+,14-,17+,18+,19+,20+/m1/s1

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InChIKey

IMPHZOKTPQRSMU-LXQQHIGESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IMPHZOKTPQRSMU-LXQQHIGESA-N

(Q105115832)

[(1S,2R,3R,6R,7S,8R,9R,12S)-9-hydroxy-1,6,12-trimethyl-5-oxo-4,10,11-trioxatetracyclo[7.6.0.02,12.03,7]pentadec-14-en-8-yl] (2S,3S)-2,3-dimethyloxirane-2-carboxylate

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Identifiers

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