(Q105366887)

English

[(3R,3aR,4S,5aR,9aR,9bR)-5a-ethenyl-3-methyl-9-methylidene-2,8-dioxo-3a,4,5,6,9a,9b-hexahydro-3H-furo[2,3-f]isochromen-4-yl] 2-(hydroxymethyl)prop-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(5a-ethenyl-3-methyl-9-methylidene-2,8-dioxo-3a,4,5,6,9a,9b-hexahydro-3H-furo[2,3-f]isochromen-4-yl) 2-(hydroxymethyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

362.136553044 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

11,13-Dihydrovernodalin

1 reference

based on heuristic

inferred from InChI

[(3S,3aR,4S,5aS,9aR,9bR)-5a-ethenyl-3-methyl-9-methylidene-2,8-dioxo-3a,4,5,6,9a,9b-hexahydro-3H-furo[2,3-f]isochromen-4-yl] 2-(hydroxymethyl)prop-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₂O₇

0 references

canonical SMILES

O=C1OCC2(C=C)CC(OC(=O)C(=C)CO)C3C(OC(=O)C3C)C2C1=C

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isomeric SMILES

C=C[C@@]12COC(=O)C(=C)[C@@H]1[C@H]1OC(=O)[C@H](C)[C@@H]1[C@@H](OC(=O)C(=C)CO)C2

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found in taxon

Distephanus angulifolius

2 references

stated in

Antimalarial sesquiterpene lactones from Distephanus angulifolius.

stated in

Antiplasmodial and cytotoxic activity of isolated sesquiterpene lactones from the acetone leaf extract of Vernonia colorata

Identifiers

InChI

InChI=1S/C19H22O7/c1-5-19-6-12(25-16(21)9(2)7-20)13-10(3)18(23)26-15(13)14(19)11(4)17(22)24-8-19/h5,10,12-15,20H,1-2,4,6-8H2,3H3/t10-,12+,13-,14-,15+,19-/m1/s1

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InChIKey

YWLGRTPMZJKCHR-HPQSTYCASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YWLGRTPMZJKCHR-HPQSTYCASA-N

(Q105366887)

[(3R,3aR,4S,5aR,9aR,9bR)-5a-ethenyl-3-methyl-9-methylidene-2,8-dioxo-3a,4,5,6,9a,9b-hexahydro-3H-furo[2,3-f]isochromen-4-yl] 2-(hydroxymethyl)prop-2-enoate

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Identifiers

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