(Q105008473)

English

[(E,1R)-5-hydroxy-1-[(2S,3R)-2-[(E)-3-hydroxy-2-methylprop-1-enyl]-4-methylidene-5-oxooxolan-3-yl]-3-methylpent-3-enyl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5-hydroxy-1-[2-(3-hydroxy-2-methylprop-1-en-1-yl)-4-methylidene-5-oxooxolan-3-yl]-3-methylpent-3-en-1-yl 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

364.188588616 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₆

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canonical SMILES

O=C(OC(CC(=CCO)C)C1C(=C)C(=O)OC1C=C(C)CO)C(=CC)C

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isomeric SMILES

C=C1C(=O)O[C@@H](/C=C(\C)CO)[C@H]1[C@@H](C/C(C)=C/CO)OC(=O)/C(C)=C\C

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found in taxon

Liatris pycnostachya

1 reference

stated in

Constituents of Liatris species. XI. Pycnolide, a seco-germacradienolide from Liatris pycnostachya, and other antitumor constituents of Liatris species

Identifiers

InChI

InChI=1S/C20H28O6/c1-6-14(4)19(23)25-16(9-12(2)7-8-21)18-15(5)20(24)26-17(18)10-13(3)11-22/h6-7,10,16-18,21-22H,5,8-9,11H2,1-4H3/b12-7+,13-10+,14-6-/t16-,17+,18-/m1/s1

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InChIKey

GHEIESSKOYFMTB-CACSTRHPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GHEIESSKOYFMTB-CACSTRHPSA-N

(Q105008473)

[(E,1R)-5-hydroxy-1-[(2S,3R)-2-[(E)-3-hydroxy-2-methylprop-1-enyl]-4-methylidene-5-oxooxolan-3-yl]-3-methylpent-3-enyl] (Z)-2-methylbut-2-enoate

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Identifiers

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