(Q105134973)

English

[(1R,2Z,4S,8R,9R,11R)-1-hydroxy-2-(hydroxymethyl)-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (2R)-2-methylbutanoate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

[1-Hydroxy-2-(hydroxymethyl)-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] 2-methylbutanoate

1 reference

1 reference

380.183503236 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2Z,4R,8R,9R,11S)-1-hydroxy-2-(hydroxymethyl)-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (2R)-2-methylbutanoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,2Z,4R,8R,9R,11R)-1-hydroxy-2-(hydroxymethyl)-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (2R)-2-methylbutanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₇

0 references

canonical SMILES

O=C1OC2C=C(CO)C3(O)OC(C)(CC3)CC(OC(=O)C(C)CC)C2C1=C

0 references

isomeric SMILES

C=C1C(=O)O[C@H]2/C=C(/CO)[C@@]3(O)CC[C@](C)(C[C@@H](OC(=O)[C@H](C)CC)[C@@H]12)O3

0 references

found in taxon

Aldama bracteata

1 reference

stated in

Sesquiterpene lactones and a myoinositol from glandular trichomes of Viguiera quinqueremis (Heliantheae; Asteraceae).

Identifiers

InChI

InChI=1S/C20H28O7/c1-5-11(2)17(22)26-15-9-19(4)6-7-20(24,27-19)13(10-21)8-14-16(15)12(3)18(23)25-14/h8,11,14-16,21,24H,3,5-7,9-10H2,1-2,4H3/b13-8-/t11-,14+,15-,16+,19-,20-/m1/s1

0 references

InChIKey

JTSKIMMXAAHGJK-QWOZRZOQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JTSKIMMXAAHGJK-QWOZRZOQSA-N

(Q105134973)

[(1R,2Z,4S,8R,9R,11R)-1-hydroxy-2-(hydroxymethyl)-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (2R)-2-methylbutanoate

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