(Q105308369)

English

[(3aR,4S,7R,9S,10Z,11aR)-7-hydroperoxy-9-hydroxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(7-hydroperoxy-9-hydroxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

378.167853172 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₇

0 references

canonical SMILES

O=C1OC2C=C(C)C(O)CC(OO)C(=C)CC(OC(=O)C(=CC)C)C2C1=C

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isomeric SMILES

C=C1C[C@H](OC(=O)/C(C)=C\C)[C@H]2C(=C)C(=O)O[C@@H]2/C=C(/C)[C@@H](O)C[C@H]1OO

0 references

found in taxon

Chamaemelum nobile

2 references

stated in

Peroxide als Pflanzeninhaltsstoffe, 3. Mitt. 1β-Hydroperoxyisonobilin, ein neues Hydroperoxid aus den Blüten der Römischen Kamille (Anthemis nobilis)

stated in

Peroxides as plant constituents. 6. Hydroperoxides from the blossoms of Roman camomile, Anthemis nobilis L

Identifiers

InChI

InChI=1S/C20H26O7/c1-6-10(2)19(22)25-17-8-12(4)15(27-24)9-14(21)11(3)7-16-18(17)13(5)20(23)26-16/h6-7,14-18,21,24H,4-5,8-9H2,1-3H3/b10-6-,11-7-/t14-,15+,16+,17-,18-/m0/s1

0 references

InChIKey

WLZFLEFYOXJHBL-FKDPZDOBSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105308369)

[(3aR,4S,7R,9S,10Z,11aR)-7-hydroperoxy-9-hydroxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate

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Identifiers

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