(Q105313439)

English

(E)-3-[(3S,3aR,9aR)-3-[(1S)-1-hydroxyoctyl]-9a-methyl-2,9-dioxo-3,3a,4,8-tetrahydrofuro[3,2-g]isochromen-6-yl]prop-2-enoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

3-[3-(1-Hydroxyoctyl)-9a-methyl-2,9-dioxo-3,3a,4,8-tetrahydrofuro[3,2-g]isochromen-6-yl]prop-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

418.1991533 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₃H₃₀O₇

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canonical SMILES

O=C(O)C=CC=1OCC=2C(=O)C3(OC(=O)C(C(O)CCCCCCC)C3CC2C1)C

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isomeric SMILES

CCCCCCC[C@H](O)[C@H]1C(=O)O[C@@]2(C)C(=O)C3=C(C=C(/C=C/C(=O)O)OC3)C[C@H]12

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found in taxon

Aspergillus parasiticus

1 reference

stated in

Sequoiatones C-f, constituents of the redwood endophyte Aspergillus parasiticus

Identifiers

InChI

InChI=1S/C23H30O7/c1-3-4-5-6-7-8-18(24)20-17-12-14-11-15(9-10-19(25)26)29-13-16(14)21(27)23(17,2)30-22(20)28/h9-11,17-18,20,24H,3-8,12-13H2,1-2H3,(H,25,26)/b10-9+/t17-,18+,20+,23-/m1/s1

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InChIKey

WVBMAOWTMDWQTR-GWKFWCGLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WVBMAOWTMDWQTR-GWKFWCGLSA-N

1 reference

(Q105313439)

(E)-3-[(3S,3aR,9aR)-3-[(1S)-1-hydroxyoctyl]-9a-methyl-2,9-dioxo-3,3a,4,8-tetrahydrofuro[3,2-g]isochromen-6-yl]prop-2-enoic acid

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Identifiers

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