(Q105183445)

English

[(1S,2E,8S,10R,11R)-6-(acetyloxymethyl)-11-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] (E)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

8alpha-Tigloyloxyhirsutinolide 13-O-acetate

1 reference

based on heuristic

inferred from SMILES

mass

420.178417856 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2E,8S,10R,11S)-6-(Acetyloxymethyl)-11-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] (E)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,2Z,8S,10S,11R)-6-(acetyloxymethyl)-11-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] (E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₈O₈

0 references

canonical SMILES

O=C1OC2=CC3(OC(O)(CC3)C(C)CC(OC(=O)C(=CC)C)C2=C1COC(=O)C)C

0 references

isomeric SMILES

C/C=C(\C)C(=O)O[C@H]1C[C@@H](C)[C@@]2(O)CC[C@@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2

0 references

found in taxon

Vernonanthura nudiflora

2 references

stated in

Glaucolides and related sesquiterpene lactones from Vernonia nudiflora and Chrysolaena propinqua

stated in

Diterpenes from Vernonanthura amplexicaulis

Cyanthillium cinereum

1 reference

stated in

Bioactive Sesquiterpene Lactones Isolated from the Whole Plants of Vernonia cinerea

Identifiers

InChI

InChI=1S/C22H28O8/c1-6-12(2)19(24)28-16-9-13(3)22(26)8-7-21(5,30-22)10-17-18(16)15(20(25)29-17)11-27-14(4)23/h6,10,13,16,26H,7-9,11H2,1-5H3/b12-6+,17-10+/t13-,16+,21+,22-/m1/s1

0 references

InChIKey

NPUVRWFJDAPMIA-UFBSNQJKSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105183445)

[(1S,2E,8S,10R,11R)-6-(acetyloxymethyl)-11-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] (E)-2-methylbut-2-enoate

Statements

Identifiers

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