(Q105000435)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

404.147117728 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₄O₈

0 references

canonical SMILES

O=C1OC2=CC3(OC(=CC3)C(O)(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@@](C)(O)C2=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

Vernonanthura polyanthes

1 reference

stated in

Allenic germacranolides, bourbonene derived lactones and other constituents from Vernonia species

Identifiers

InChI

InChI=1S/C21H24O8/c1-11(2)18(23)27-15-9-21(5,25)16-6-7-20(4,29-16)8-14-17(15)13(19(24)28-14)10-26-12(3)22/h6,8,15,25H,1,7,9-10H2,2-5H3/b14-8 /t15-,20-,21 /m0/s1

0 references

InChIKey

FRUDCXFMEKMPEW-MHLJCVFXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FRUDCXFMEKMPEW-MHLJCVFXSA-N

(Q105000435)

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

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Identifiers

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