(Q105170450)

English

[(3aS,4S,6aR,7R,8S,9aR,9bR)-7,8-dihydroxy-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-methylprop-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(7,8-Dihydroxy-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl) 2-methylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

346.141638424 dalton

1 reference

1 reference

[(3aR,4S,6aR,7R,8R,9aR,9bS)-7,8-dihydroxy-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-methylprop-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₂O₆

0 references

canonical SMILES

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

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isomeric SMILES

C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2[C@@H](O)[C@@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]12

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found in taxon

Acroptilon repens

1 reference

stated in

Guaianolides from Acroptilon repens

Rhaponticum repens

1 reference

stated in

Guaianolides from Acroptilon repens

Identifiers

InChI

InChI=1S/C19H22O6/c1-7(2)18(22)24-11-6-8(3)12-14(9(4)15(20)16(12)21)17-13(11)10(5)19(23)25-17/h11-17,20-21H,1,3-6H2,2H3/t11-,12-,13-,14-,15-,16+,17-/m0/s1

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InChIKey

MRBKKNMFILNDIF-UJDJNWPZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MRBKKNMFILNDIF-UJDJNWPZSA-N

(Q105170450)

[(3aS,4S,6aR,7R,8S,9aR,9bR)-7,8-dihydroxy-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-methylprop-2-enoate

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