(Q105249798)

English

(2R,3R)-2,3-Dimethyloxirane-2-carboxylic acid [(3aS)-4abeta-hydroxy-2-oxo-9-methylene-3alpha,5-dimethyl-2,3,3abeta,4,4a,7,8,9,9aalpha,9bbeta-decahydroazuleno[1,2-b]furan]-4beta-yl ester

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(4a-hydroxy-3,5-dimethyl-9-methylidene-2-oxo-3a,4,7,8,9a,9b-hexahydro-3H-azuleno[1,2-b]furan-4-yl) 2,3-dimethyloxirane-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

362.172938552 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₆

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canonical SMILES

O=C1OC2C3C(=C)CCC=C(C)C3(O)C(OC(=O)C4(OC4C)C)C2C1C

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isomeric SMILES

C=C1CCC=C(C)[C@]2(O)[C@@H]1[C@@H]1OC(=O)[C@H](C)[C@@H]1[C@H]2OC(=O)[C@]1(C)O[C@@H]1C

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found in taxon

Montanoa hibiscifolia

2 references

stated in

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

stated in

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

Identifiers

InChI

InChI=1S/C20H26O6/c1-9-7-6-8-10(2)20(23)14(9)15-13(11(3)17(21)24-15)16(20)25-18(22)19(5)12(4)26-19/h8,11-16,23H,1,6-7H2,2-5H3/t11-,12-,13+,14+,15-,16-,19-,20+/m1/s1

0 references

InChIKey

SBZMGZYHKNGAQP-AFXNQAGISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SBZMGZYHKNGAQP-AFXNQAGISA-N

1 reference

(Q105249798)

(2R,3R)-2,3-Dimethyloxirane-2-carboxylic acid [(3aS)-4abeta-hydroxy-2-oxo-9-methylene-3alpha,5-dimethyl-2,3,3abeta,4,4a,7,8,9,9aalpha,9bbeta-decahydroazuleno[1,2-b]furan]-4beta-yl ester

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