(Q105349704)

English

[(1S,2E,8R,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] 2-methylprop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(2E)-6-[(acetyloxy)methyl]-11-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl 2-methylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

406.162767792 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(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] 2-methylprop-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₆O₈

0 references

canonical SMILES

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

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isomeric SMILES

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 pinguis

1 reference

stated in

Glaucolides, hirsutinolides and other sesquiterpene lactones from Vernonanthura pinguis

Vernonanthura chamaedrys

2 references

stated in

Glaucolides and related sesquiterpene lactones from Vernonia chamaedrys

stated in

Diterpenes from Vernonanthura amplexicaulis

Identifiers

InChI

InChI=1S/C21H26O8/c1-11(2)18(23)27-15-8-12(3)21(25)7-6-20(5,29-21)9-16-17(15)14(19(24)28-16)10-26-13(4)22/h9,12,15,25H,1,6-8,10H2,2-5H3/b16-9+/t12-,15+,20-,21+/m0/s1

0 references

InChIKey

YKIDGUZXBGGNBZ-IZJVFAPGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YKIDGUZXBGGNBZ-IZJVFAPGSA-N

(Q105349704)

[(1S,2E,8R,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] 2-methylprop-2-enoate

Statements

Identifiers

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