(Q104963242)

English

[(E,1R)-3-methyl-6-(5-oxo-2H-furan-3-yl)-1-[(1R)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]hex-3-enyl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[3-methyl-6-(5-oxo-2H-furan-3-yl)-1-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)hex-3-enyl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

374.20932406 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(E,1R)-3-methyl-6-(5-oxo-2H-furan-3-yl)-1-[(1S)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]hex-3-enyl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(Z,1R)-3-methyl-6-(5-oxo-2H-furan-3-yl)-1-[(1S)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]hex-3-enyl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(Z,1R)-3-methyl-6-(5-oxo-2H-furan-3-yl)-1-[(1R)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]hex-3-enyl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₀O₅

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canonical SMILES

O=C1OCC(=C1)CCC=C(C)CC(OC(=O)C)C2C(=CC(=O)CC2(C)C)C

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isomeric SMILES

CC(=O)O[C@H](C/C(C)=C/CCC1=CC(=O)OC1)[C@H]1C(C)=CC(=O)CC1(C)C

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found in taxon

Hebeclinium macrophyllum

1 reference

stated in

Further seco-labdanes from Hebeclinium macrophyllum

Identifiers

InChI

InChI=1S/C22H30O5/c1-14(7-6-8-17-11-20(25)26-13-17)9-19(27-16(3)23)21-15(2)10-18(24)12-22(21,4)5/h7,10-11,19,21H,6,8-9,12-13H2,1-5H3/b14-7+/t19-,21-/m1/s1

0 references

InChIKey

CLDKIKGBGWQCOG-WSCZMZELSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CLDKIKGBGWQCOG-WSCZMZELSA-N

(Q104963242)

[(E,1R)-3-methyl-6-(5-oxo-2H-furan-3-yl)-1-[(1R)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]hex-3-enyl] acetate

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