(Q104993818)

English

[(E)-2-[[(3aR,4R,9aS,9bR)-6,9-dimethyl-3-methylidene-2-oxo-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl]oxycarbonyl]-4-hydroxybut-2-enyl] (3S)-3,4-dihydroxy-2-methylidenebutanoate

chemical compound

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instance of

type of chemical entity

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subclass of

[2-[(6,9-Dimethyl-3-methylidene-2-oxo-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl)oxycarbonyl]-4-hydroxybut-2-enyl] 3,4-dihydroxy-2-methylidenebutanoate

1 reference

based on heuristic

inferred from SMILES

mass

474.18898254 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₀O₉

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canonical SMILES

O=C(OCC(=CCO)C(=O)OC1CC(=C2CC=C(C)C2C3OC(=O)C(=C)C13)C)C(=C)C(O)CO

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isomeric SMILES

C=C(C(=O)OC/C(=C\CO)C(=O)O[C@@H]1CC(C)=C2CC=C(C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12)[C@H](O)CO

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found in taxon

Carphochaete pringlei

1 reference

stated in

A cyclopropanoheliangolide and guaianolides from cronquistia pringlei

Identifiers

InChI

InChI=1S/C25H30O9/c1-12-5-6-17-13(2)9-19(21-15(4)24(30)34-22(21)20(12)17)33-25(31)16(7-8-26)11-32-23(29)14(3)18(28)10-27/h5,7,18-22,26-28H,3-4,6,8-11H2,1-2H3/b16-7+/t18-,19-,20+,21-,22-/m1/s1

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InChIKey

FDUPGPLBNSVHFU-XYOWXUKJSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104993818)

[(E)-2-[[(3aR,4R,9aS,9bR)-6,9-dimethyl-3-methylidene-2-oxo-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl]oxycarbonyl]-4-hydroxybut-2-enyl] (3S)-3,4-dihydroxy-2-methylidenebutanoate

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Identifiers

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