(Q105014118)

English

[(3aR,4S,5aR,6S,9aS,9bR)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-4-yl] 2-methylpropanoate

chemical compound

In more languages

Statements

type of chemical entity

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eudesmane sesquiterpenoid

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334.178023932 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₆O₅

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canonical SMILES

O=C1OC2C(C1=C)C(OC(=O)C(C)C)CC3(C)C(O)CC=C(C)C23

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isomeric SMILES

C=C1C(=O)O[C@@H]2[C@H]3C(C)=CC[C@H](O)[C@]3(C)C[C@H](OC(=O)C(C)C)[C@@H]12

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Anthemis carpatica

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Sesquiterpene lactones as chemotaxonomic markers in genus Anthemis

Identifiers

InChI=1S/C19H26O5/c1-9(2)17(21)23-12-8-19(5)13(20)7-6-10(3)15(19)16-14(12)11(4)18(22)24-16/h6,9,12-16,20H,4,7-8H2,1-3,5H3/t12-,13-,14+,15+,16-,19-/m0/s1

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GOKMCEPAKYDIRF-GTPBXFKWSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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