(Q105287589)

English

[(Z)-5-[(2R)-2-[(Z,1R)-1,6-dihydroxy-4-methylhex-4-enyl]-2-methyl-7-oxo-3,4-dihydrooxepin-6-yl]-2-methylpent-2-enyl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[5-[2-(1,6-Dihydroxy-4-methylhex-4-enyl)-2-methyl-7-oxo-3,4-dihydrooxepin-6-yl]-2-methylpent-2-enyl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

394.235538808 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(E)-5-[(2R)-2-[(Z,1S)-1,6-dihydroxy-4-methylhex-4-enyl]-2-methyl-7-oxo-3,4-dihydrooxepin-6-yl]-2-methylpent-2-enyl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₄O₆

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canonical SMILES

O=C1OC(C)(CCC=C1CCC=C(C)COC(=O)C)C(O)CCC(=CCO)C

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isomeric SMILES

CC(=O)OC/C(C)=C\CCC1=CCC[C@](C)([C@H](O)CC/C(C)=C\CO)OC1=O

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found in taxon

Melampodium longipilum

1 reference

stated in

Sesquiterpene and diterpene lactones from melampodium longipilum

Identifiers

InChI

InChI=1S/C22H34O6/c1-16(12-14-23)10-11-20(25)22(4)13-6-9-19(21(26)28-22)8-5-7-17(2)15-27-18(3)24/h7,9,12,20,23,25H,5-6,8,10-11,13-15H2,1-4H3/b16-12-,17-7-/t20-,22-/m1/s1

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InChIKey

VJXZNMFEQJQUKW-MGJSNGIZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VJXZNMFEQJQUKW-MGJSNGIZSA-N

(Q105287589)

[(Z)-5-[(2R)-2-[(Z,1R)-1,6-dihydroxy-4-methylhex-4-enyl]-2-methyl-7-oxo-3,4-dihydrooxepin-6-yl]-2-methylpent-2-enyl] acetate

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