(Q105183632)

English

[(3aR,4S,6S,6aS,9aS,9bR)-6a-hydroxy-6,9a-dimethyl-3-methylidene-2,9-dioxo-4,5,6,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (2S)-2-methyloxirane-2-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

(6a-hydroxy-6,9a-dimethyl-3-methylidene-2,9-dioxo-4,5,6,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl) 2-methyloxirane-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

362.136553044 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₂O₇

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canonical SMILES

O=C1OC2C(C1=C)C(OC(=O)C3(OC3)C)CC(C)C4(O)C=CC(=O)C24C

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isomeric SMILES

C=C1C(=O)O[C@@H]2[C@H]1[C@@H](OC(=O)[C@]1(C)CO1)C[C@H](C)[C@]1(O)C=CC(=O)[C@@]21C

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found in taxon

Parthenium hysterophorus

1 reference

stated in

Three ambrosanolides from Parthenium hysterophorus

Identifiers

InChI

InChI=1S/C19H22O7/c1-9-7-11(25-16(22)17(3)8-24-17)13-10(2)15(21)26-14(13)18(4)12(20)5-6-19(9,18)23/h5-6,9,11,13-14,23H,2,7-8H2,1,3-4H3/t9-,11-,13+,14+,17-,18-,19+/m0/s1

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InChIKey

NQAMSXWIOGXAEZ-LSKMJPFRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NQAMSXWIOGXAEZ-LSKMJPFRSA-N

(Q105183632)

[(3aR,4S,6S,6aS,9aS,9bR)-6a-hydroxy-6,9a-dimethyl-3-methylidene-2,9-dioxo-4,5,6,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (2S)-2-methyloxirane-2-carboxylate

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Identifiers

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