(Q105161229)

English

[(7R,9S,10E,11aR)-7-hydroxy-3-(hydroxymethyl)-10-methyl-6-methylidene-2-oxo-4,5,7,8,9,11a-hexahydrocyclodeca[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)-10-methyl-6-methylidene-2-oxo-4,5,7,8,9,11a-hexahydrocyclodeca[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

[(7R,9R,10Z,11aR)-7-hydroxy-3-(hydroxymethyl)-10-methyl-6-methylidene-2-oxo-4,5,7,8,9,11a-hexahydrocyclodeca[b]furan-9-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(7S,9S,10E,11aR)-7-hydroxy-3-(hydroxymethyl)-10-methyl-6-methylidene-2-oxo-4,5,7,8,9,11a-hexahydrocyclodeca[b]furan-9-yl] acetate

1 reference

based on heuristic

inferred from InChI

[(7S,9R,10Z,11aR)-7-hydroxy-3-(hydroxymethyl)-10-methyl-6-methylidene-2-oxo-4,5,7,8,9,11a-hexahydrocyclodeca[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(=C)CCC2=C1CO

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isomeric SMILES

C=C1CCC2=C(CO)C(=O)O[C@@H]2/C=C(\C)[C@@H](OC(C)=O)C[C@H]1O

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found in taxon

Artemisia judaica

1 reference

stated in

Glaucolide-like sesquiterpene lactones from Artemisia judaica

Sonchus platylepis

1 reference

stated in

A chemosystematic study of the phenolics of Sonchus

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/h6,14-16,18,20H,1,4-5,7-8H2,2-3H3/b10-6+/t14-,15+,16-/m1/s1

0 references

InChIKey

MCJAKNZUJXCHOQ-GXUCJDGASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MCJAKNZUJXCHOQ-GXUCJDGASA-N

(Q105161229)

[(7R,9S,10E,11aR)-7-hydroxy-3-(hydroxymethyl)-10-methyl-6-methylidene-2-oxo-4,5,7,8,9,11a-hexahydrocyclodeca[b]furan-9-yl] acetate

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Identifiers

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