(Q104976383)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

9a-hydroxy-3,8a-dimethyl-5-methylidene-2-oxo-4H,4aH,6H,7H,8H,9H-naphtho[2,3-b]furan-8-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

306.146723804 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₂O₅

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canonical SMILES

O=C1OC2(O)C(=C1C)CC3C(=C)CCC(OC(=O)C)C3(C)C2

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isomeric SMILES

C=C1CC[C@@H](OC(C)=O)[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@@H]12

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found in taxon

Smyrnium olusatrum

2 references

stated in

Sesquiterpene lactones from Smyrnium olusatrum

stated in

A furanoeudesmane from the fruits of Smyrnium olusatrum

Asphodeline damascena

1 reference

stated in

Sesquiterpene lactones, flavonoids and anthraquinones from Asphodeline globifera and Asphodeline Damascena

Asphodeline globifera

1 reference

stated in

Sesquiterpene lactones, flavonoids and anthraquinones from Asphodeline globifera and Asphodeline Damascena

Smyrnium perfoliatum

1 reference

stated in

Glechomanolides and eudesmanolides from Smyrnium perfoliatum

Identifiers

InChI

InChI=1S/C17H22O5/c1-9-5-6-14(21-11(3)18)16(4)8-17(20)13(7-12(9)16)10(2)15(19)22-17/h12,14,20H,1,5-8H2,2-4H3/t12-,14+,16+,17-/m0/s1

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InChIKey

DDHXERAMOVJOAJ-JFOHDYCDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DDHXERAMOVJOAJ-JFOHDYCDSA-N

1 reference

(Q104976383)

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

Statements

Identifiers

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