(Q105275872)

English

[(5E,7S,9S,10E,11aR)-7-hydroxy-3-(hydroxymethyl)-6,10-dimethyl-2-oxo-7,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-9-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[7-hydroxy-3-(hydroxymethyl)-6,10-dimethyl-2-oxo-7,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-9-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

322.141638424 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(5Z,7S,9R,10E,11aR)-7-hydroxy-3-(hydroxymethyl)-6,10-dimethyl-2-oxo-7,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-9-yl] acetate

1 reference

based on heuristic

inferred from InChI

[(5Z,7S,9S,10E,11aR)-7-hydroxy-3-(hydroxymethyl)-6,10-dimethyl-2-oxo-7,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-9-yl] acetate

1 reference

based on heuristic

inferred from InChI

[(5Z,7S,9R,10Z,11aR)-7-hydroxy-3-(hydroxymethyl)-6,10-dimethyl-2-oxo-7,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-9-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₂O₆

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canonical SMILES

O=C1OC2C=C(C)C(OC(=O)C)CC(O)C(=CCC2=C1CO)C

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isomeric SMILES

CC(=O)O[C@H]1C[C@H](O)/C(C)=C/CC2=C(CO)C(=O)O[C@@H]2/C=C/1C

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found in taxon

Artemisia judaica

1 reference

stated in

Glaucolide-like sesquiterpene lactones from Artemisia judaica

Identifiers

InChI

InChI=1S/C17H22O6/c1-9-4-5-12-13(8-18)17(21)23-16(12)6-10(2)15(7-14(9)20)22-11(3)19/h4,6,14-16,18,20H,5,7-8H2,1-3H3/b9-4+,10-6+/t14-,15-,16+/m0/s1

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InChIKey

UNANNKAWBHGWLX-GEHHHGLQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UNANNKAWBHGWLX-GEHHHGLQSA-N

(Q105275872)

[(5E,7S,9S,10E,11aR)-7-hydroxy-3-(hydroxymethyl)-6,10-dimethyl-2-oxo-7,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-9-yl] acetate

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