(Q105214841)

English

[(3aR,4R,6R,6aR,9aR,9bR)-6,8-dihydroxy-6,9-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,6a,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(6,8-Dihydroxy-6,9-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,6a,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

376.152203108 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aR,4R,6S,6aR,9aR,9bS)-6,8-dihydroxy-6,9-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,6a,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3aR,4R,6S,6aR,9aR,9bR)-6,8-dihydroxy-6,9-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,6a,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₄O₇

0 references

canonical SMILES

O=C(OC1CC(O)(C)C2C(=O)C(O)=C(C)C2C3OC(=O)C(=C)C13)C(=CC)C

0 references

isomeric SMILES

C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C\C)C[C@@](C)(O)[C@@H]1C(=O)C(O)=C(C)[C@H]21

0 references

found in taxon

common sunflower

1 reference

stated in

Bioactive flavonoids from Helianthus annuus cultivars

Dendroviguiera sylvatica

1 reference

stated in

Heliangolides from Viguiera sylvatica

Identifiers

InChI

InChI=1S/C20H24O7/c1-6-8(2)18(23)26-11-7-20(5,25)14-13(9(3)15(21)16(14)22)17-12(11)10(4)19(24)27-17/h6,11-14,17,21,25H,4,7H2,1-3,5H3/b8-6-/t11-,12-,13+,14+,17+,20-/m1/s1

0 references

InChIKey

PTQURJSSVZYXNH-QICRIBIQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PTQURJSSVZYXNH-QICRIBIQSA-N

(Q105214841)

[(3aR,4R,6R,6aR,9aR,9bR)-6,8-dihydroxy-6,9-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,6a,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate

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