(Q105015524)

English

[(3aR,4R,9aS,9bR)-6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-[[(E)-2-(hydroxymethyl)but-2-enoyl]oxymethyl]but-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl) 4-hydroxy-2-[2-(hydroxymethyl)but-2-enoyloxymethyl]but-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

472.173332476 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₂₈O₉

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canonical SMILES

O=C(OCC(=CCO)C(=O)OC1CC(=C2C(=O)C=C(C)C2C3OC(=O)C(=C)C13)C)C(=CC)CO

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isomeric SMILES

C=C1C(=O)O[C@@H]2[C@H]3C(C)=CC(=O)C3=C(C)C[C@@H](OC(=O)/C(=C/CO)COC(=O)/C(=C/C)CO)[C@@H]12

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found in taxon

Hymenopappus scabiosaeus

1 reference

stated in

Further guaianolides from Hymenopappus species

Identifiers

InChI

InChI=1S/C25H28O9/c1-5-15(10-27)24(30)32-11-16(6-7-26)25(31)33-18-9-13(3)19-17(28)8-12(2)20(19)22-21(18)14(4)23(29)34-22/h5-6,8,18,20-22,26-27H,4,7,9-11H2,1-3H3/b15-5+,16-6+/t18-,20+,21-,22-/m1/s1

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InChIKey

GQQDFTVCJHNGTN-RNCFCCKBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GQQDFTVCJHNGTN-RNCFCCKBSA-N

(Q105015524)

[(3aR,4R,9aS,9bR)-6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-[[(E)-2-(hydroxymethyl)but-2-enoyl]oxymethyl]but-2-enoate

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