(Q105155396)

English

[(1S,2R,3R,7S,8R,9R,12S)-9-hydroxy-1,12-dimethyl-6-methylidene-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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instance of

type of chemical entity

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subclass of

(9-Hydroxy-1,12-dimethyl-6-methylidene-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

392.147117728 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₄O₈

0 references

canonical SMILES

O=C1OC2C(C1=C)C(OC(=O)C3(OC3C)C)C4(O)OOC5(C)CC=CC4(C)C25

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isomeric SMILES

C=C1C(=O)O[C@@H]2[C@H]1[C@@H](OC(=O)[C@@]1(C)O[C@H]1C)[C@]1(O)OO[C@@]3(C)CC=C[C@@]1(C)[C@H]23

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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/C20H24O8/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/h6-7,10-14,23H,1,8H2,2-5H3/t10-,11-,12+,13-,14+,17-,18-,19-,20-/m0/s1

0 references

InChIKey

LPXOBZWDHHUJHC-ZLZYUGBGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LPXOBZWDHHUJHC-ZLZYUGBGSA-N

(Q105155396)

[(1S,2R,3R,7S,8R,9R,12S)-9-hydroxy-1,12-dimethyl-6-methylidene-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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