(Q105016952)

English

[(1S,2E,8R,10S,11S)-8-acetyloxy-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-6-yl]methyl acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[(1R,10R,11S)-8-acetyloxy-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-6-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

(4S,6R,7S,10R,11E)-4,5,6,7,8,9-Hexahydro-4-acetoxy-3-(acetoxymethyl)-7,10-epoxy-6,7-dihydroxy-6,10-dimethylcyclodeca[b]furan-2(10H)-one

1 reference

based on heuristic

inferred from SMILES

mass

396.142032348 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2E,8S,10R,11R)-8-acetyloxy-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-6-yl]methyl acetate

1 reference

based on heuristic

inferred from InChI

7,10-Epoxycyclodeca(b)furan-2(4H)-one, 4-(acetyloxy)-3-((acetyloxy)methyl)-5,6,7,8,9,10-hexahydro-6,7-dihydroxy-6,10-dimethyl-, (4R,6S,7S,10R,11E)-

1 reference

based on heuristic

inferred from InChI

[(1R,2E,8S,10R,11S)-8-(acetyloxy)-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-6-yl]methyl acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₄O₉

0 references

canonical SMILES

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

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isomeric SMILES

CC(=O)OCC1=C2/C(=C\[C@]3(C)CC[C@](O)(O3)[C@@](C)(O)C[C@H]2OC(C)=O)OC1=O

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found in taxon

Chrysolaena cognata

2 references

stated in

Piptocarphol esters and other constituents from Vernonia cognata

stated in

Glaucolides and related sesquiterpene lactones from Vernonia nudiflora and Chrysolaena propinqua

Chrysolaena platensis

2 references

stated in

Piptocarphol esters and other constituents from Vernonia cognata

stated in

Glaucolides and related sesquiterpene lactones from Vernonia nudiflora and Chrysolaena propinqua

Identifiers

InChI

InChI=1S/C19H24O9/c1-10(20)25-9-12-15-13(27-16(12)22)7-17(3)5-6-19(24,28-17)18(4,23)8-14(15)26-11(2)21/h7,14,23-24H,5-6,8-9H2,1-4H3/b13-7+/t14-,17+,18+,19+/m1/s1

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InChIKey

GSADBENAXUTZTK-NONQRHFESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GSADBENAXUTZTK-NONQRHFESA-N

(Q105016952)

[(1S,2E,8R,10S,11S)-8-acetyloxy-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-6-yl]methyl acetate

Statements

Identifiers

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