(Q105135890)

English

[(3aS,4R,6R,7S,10E,11aS)-7-methoxy-6,10-dimethyl-3-methylidene-2,5-dioxo-4,6,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-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

(7-methoxy-6,10-dimethyl-3-methylidene-2,5-dioxo-4,6,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl) 2,3-dimethyloxirane-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

392.183503236 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aS,4R,6R,7S,10E,11aS)-7-methoxy-6,10-dimethyl-3-methylidene-2,5-dioxo-4,6,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₈O₇

0 references

canonical SMILES

O=C1OC2C=C(C)CCC(OC)C(C(=O)C(OC(=O)C3(OC3C)C)C2C1=C)C

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isomeric SMILES

C=C1C(=O)O[C@H]2/C=C(\C)CC[C@H](OC)[C@@H](C)C(=O)[C@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@@H]12

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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/C21H28O7/c1-10-7-8-14(25-6)11(2)17(22)18(27-20(24)21(5)13(4)28-21)16-12(3)19(23)26-15(16)9-10/h9,11,13-16,18H,3,7-8H2,1-2,4-6H3/b10-9+/t11-,13+,14+,15+,16+,18-,21+/m1/s1

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InChIKey

JVPXFGCRXBYZOY-OCBQJHQKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JVPXFGCRXBYZOY-OCBQJHQKSA-N

1 reference

(Q105135890)

[(3aS,4R,6R,7S,10E,11aS)-7-methoxy-6,10-dimethyl-3-methylidene-2,5-dioxo-4,6,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl] (2S,3S)-2,3-dimethyloxirane-2-carboxylate

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