(Q105345187)

English

[(3aR,4R,6aR,9aR,9bR)-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-[[(E)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl) 4-hydroxy-2-(2-methylbut-2-enoyloxymethyl)but-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

442.1991533 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aR,4R,6aR,9aR,9bR)-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₀O₇

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canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Helogyne apaloidea

1 reference

stated in

Helogynic acid, a homoditerpene, and other constituents from Helogyne apaloidea

Identifiers

InChI

InChI=1S/C25H30O7/c1-6-13(2)23(27)30-12-17(9-10-26)25(29)31-19-11-15(4)18-8-7-14(3)20(18)22-21(19)16(5)24(28)32-22/h6-7,9,18-22,26H,4-5,8,10-12H2,1-3H3/b13-6+,17-9+/t18-,19+,20-,21+,22+/m0/s1

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InChIKey

XZUPRNIANOZBMY-GFBIUCNTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XZUPRNIANOZBMY-GFBIUCNTSA-N

(Q105345187)

[(3aR,4R,6aR,9aR,9bR)-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-[[(E)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate

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