(Q105208422)

English

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

group of stereoisomers with the chemical formula C₁₈H₂₂O₇

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Statements

instance of

group of stereoisomers

0 references

1 reference

350.136553044 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₈H₂₂O₇

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canonical SMILES

O=C1OC2C(=C1COC(=O)C)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(COC(C)=O)C(=O)O[C@@H]3[C@@H]12

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found in taxon

Achillea fragrantissima

1 reference

stated in

Glaucolides from Achillea fragrantissima

Identifiers

InChI

InChI=1S/C18H22O7/c1-8-15(24-10(3)20)6-14(21)12-5-4-11-13(7-23-9(2)19)18(22)25-17(11)16(8)12/h12,14-17,21H,1,4-7H2,2-3H3/t12?,14-,15+,16+,17+/m1/s1

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InChIKey

PGITZFFJBXEEET-ITGMQTRRSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PGITZFFJBXEEET-ITGMQTRRSA-N

(Q105208422)

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

Statements

Identifiers

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