(Q104972547)

English

[(3S,3aS,5aS,6R,9aR,9bS)-9a-hydroxy-3,5a-dimethyl-9-methylidene-2-oxo-3,3a,4,5,6,7,8,9b-octahydrobenzo[g][1]benzofuran-6-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[(3S,5aS,6R,9aR,9bS)-9a-hydroxy-3,5a-dimethyl-9-methylidene-2-oxo-3,3a,4,5,6,7,8,9b-octahydrobenzo[g][1]benzofuran-6-yl] acetate

1 reference

based on heuristic

inferred from SMILES

9a-hydroxy-3,5a-dimethyl-9-methylidene-2-oxo-octahydronaphtho[1,2-b]furan-6-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

308.162373868 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3R,3aS,5aS,6R,9aR,9bS)-9a-hydroxy-3,5a-dimethyl-9-methylidene-2-oxo-3,3a,4,5,6,7,8,9b-octahydrobenzo[g][1]benzofuran-6-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₄O₅

0 references

canonical SMILES

O=C(OC1CCC(=C)C2(O)C3OC(=O)C(C)C3CCC12C)C

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isomeric SMILES

C=C1CC[C@@H](OC(C)=O)[C@]2(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@]12O

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found in taxon

Artemisia herba-alba

1 reference

stated in

Eudesmanolides and other constituents from Artemisia herba-alba

Identifiers

InChI

InChI=1S/C17H24O5/c1-9-5-6-13(21-11(3)18)16(4)8-7-12-10(2)15(19)22-14(12)17(9,16)20/h10,12-14,20H,1,5-8H2,2-4H3/t10-,12-,13+,14-,16-,17-/m0/s1

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InChIKey

CYTCTRAEJYIZRX-NMIRKQRPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CYTCTRAEJYIZRX-NMIRKQRPSA-N

(Q104972547)

[(3S,3aS,5aS,6R,9aR,9bS)-9a-hydroxy-3,5a-dimethyl-9-methylidene-2-oxo-3,3a,4,5,6,7,8,9b-octahydrobenzo[g][1]benzofuran-6-yl] acetate

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