(Q105006007)

English

[(3aR,4R,6aR,7R,9aS,9bS)-7,9a-dihydroxy-9-methyl-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,9b-hexahydroazuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(7,9a-Dihydroxy-9-methyl-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,9b-hexahydroazuleno[4,5-b]furan-4-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

360.157288488 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aS,4R,6aR,7R,9aS,9bS)-7,9a-dihydroxy-9-methyl-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,9b-hexahydroazuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₄O₆

0 references

canonical SMILES

O=C1OC2C(C1=C)C(OC(=O)C(=CC)C)CC(=C)C3C(O)C=C(C)C23O

0 references

isomeric SMILES

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

0 references

found in taxon

Eupatorium rotundifolium

1 reference

stated in

Neue sesquiterpenlactone und andere inhaltsstoffe aus vertretern der Eupatorium-gruppe

Identifiers

InChI

InChI=1S/C20H24O6/c1-6-9(2)18(22)25-14-7-10(3)16-13(21)8-11(4)20(16,24)17-15(14)12(5)19(23)26-17/h6,8,13-17,21,24H,3,5,7H2,1-2,4H3/b9-6-/t13-,14-,15-,16-,17+,20-/m1/s1

0 references

InChIKey

GBOICSBDXZIUKE-WMNAQBTMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GBOICSBDXZIUKE-WMNAQBTMSA-N

(Q105006007)

[(3aR,4R,6aR,7R,9aS,9bS)-7,9a-dihydroxy-9-methyl-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,9b-hexahydroazuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate

Statements

Identifiers

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