(Q105134627)

English

(3aS,5aR,6R,8S,9R,9aS,9bS)-6,8-dihydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9,9a,9b-octahydro-3aH-benzo[g][1]benzofuran-2-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

6,8-dihydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9,9a,9b-octahydro-3aH-benzo[g][1]benzofuran-2-one

1 reference

based on heuristic

inferred from SMILES

mass

266.151809184 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₂₂O₄

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canonical SMILES

O=C1OC2C(C1=C)CCC3(C)C(O)CC(O)C(C)C23

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@H]1CC[C@]1(C)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]1O

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found in taxon

Taraxacum disseminatum

1 reference

stated in

Sesquiterpenoids from roots of Taraxacum laevigatum and Taraxacum disseminatum

Taraxacum erythrospermum

1 reference

stated in

Sesquiterpenoids from roots of Taraxacum laevigatum and Taraxacum disseminatum

Taraxacum laevigatum

1 reference

stated in

Sesquiterpenoids from roots of Taraxacum laevigatum and Taraxacum disseminatum

Identifiers

InChI

InChI=1S/C15H22O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h8-13,16-17H,1,4-6H2,2-3H3/t8-,9-,10-,11+,12+,13-,15-/m0/s1

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InChIKey

JSWXGWYFIPTZSL-BKKKSXESSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JSWXGWYFIPTZSL-BKKKSXESSA-N

1 reference

(Q105134627)

(3aS,5aR,6R,8S,9R,9aS,9bS)-6,8-dihydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9,9a,9b-octahydro-3aH-benzo[g][1]benzofuran-2-one

Statements

Identifiers

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