(Q105205193)

English

[(1S,2Z,4S,8R,9R,11S,12R)-1,12-dihydroxy-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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type of chemical entity

0 references

1 reference

[1,12-Dihydroxy-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

based on heuristic

inferred from SMILES

mass

396.178417856 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2Z,4R,8R,9R,11S,12S)-1,12-dihydroxy-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

[(1R,2E,4S,8R,9R,11R,12S)-1,12-dihydroxy-2-(hydroxymethyl)-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (2S)-2-methylbutanoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₈

0 references

canonical SMILES

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

0 references

isomeric SMILES

C=C1C(=O)O[C@H]2/C=C(/CO)[C@]3(O)C[C@@H](O)[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/C20H28O8/c1-5-10(2)17(23)27-14-7-19(4)15(22)8-20(25,28-19)12(9-21)6-13-16(14)11(3)18(24)26-13/h6,10,13-16,21-22,25H,3,5,7-9H2,1-2,4H3/b12-6-/t10-,13+,14-,15-,16+,19+,20+/m1/s1

0 references

InChIKey

PBHKMDBIOFKKFO-JLLCBYLYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PBHKMDBIOFKKFO-JLLCBYLYSA-N

(Q105205193)

[(1S,2Z,4S,8R,9R,11S,12R)-1,12-dihydroxy-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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