(Q115949771)

English

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

group of stereoisomers with the chemical formula C₁₆H₂₀O₆

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

308.12598836 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₆H₂₀O₆

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canonical SMILES

O=C1OC2C(=C1CO)CCC3C(O)CC(OC(=O)C)C(=C)C23

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isomeric SMILES

C=C1[C@@H](OC(C)=O)C[C@@H](O)C2CCC3=C(CO)C(=O)O[C@@H]3[C@@H]12

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found in taxon

Achillea fragrantissima

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stated in

Glaucolides from Achillea fragrantissima

Identifiers

InChI

InChI=1S/C16H20O6/c1-7-13(21-8(2)18)5-12(19)10-4-3-9-11(6-17)16(20)22-15(9)14(7)10/h10,12-15,17,19H,1,3-6H2,2H3/t10?,12-,13+,14+,15+/m1/s1

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InChIKey

OEOLXGZNZFYBON-SHZWADADSA-N

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2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

OEOLXGZNZFYBON-SHZWADADSA-N

(Q115949771)

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

Statements

Identifiers

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