(Q105125914)

English

(3aR,4R,6aR,7R,9aR,9bR)-3,6-Dimethylene-4-(angelyloxy)-7-hydroxy-9-methyl-3a,4,5,6,6a,7,9a,9b-octahydroazuleno[4,5-b]furan-2(3H)-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

7-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-3aH,4H,5H,6aH,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

344.162373868 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aR,4R,6aR,7R,9aR,9bR)-7-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate

1 reference

1 reference

C₂₀H₂₄O₅

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canonical SMILES

O=C1OC2C(C1=C)C(OC(=O)C(=CC)C)CC(=C)C3C(O)C=C(C)C23

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isomeric SMILES

C=C1C[C@@H](OC(=O)/C(C)=C\C)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(C)=C[C@@H](O)[C@@H]12

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found in taxon

Trichogonia campestris

1 reference

stated in

Neue Sesquiterpenlactone und Rosan-Derivate ausTrichogonia-Arten

Trichogonia santosii

1 reference

stated in

Neue Sesquiterpenlactone und Rosan-Derivate ausTrichogonia-Arten

Identifiers

InChI

InChI=1S/C20H24O5/c1-6-9(2)19(22)24-14-8-11(4)15-13(21)7-10(3)16(15)18-17(14)12(5)20(23)25-18/h6-7,13-18,21H,4-5,8H2,1-3H3/b9-6-/t13-,14-,15-,16+,17-,18-/m1/s1

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InChIKey

JEAWGNYMYMHNGM-OHOUSIRRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JEAWGNYMYMHNGM-OHOUSIRRSA-N

1 reference

(Q105125914)

(3aR,4R,6aR,7R,9aR,9bR)-3,6-Dimethylene-4-(angelyloxy)-7-hydroxy-9-methyl-3a,4,5,6,6a,7,9a,9b-octahydroazuleno[4,5-b]furan-2(3H)-one

Statements

Identifiers

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