(Q104947956)

English

[(1S,2R,4R,7R,9R,10R,11S,12R)-11-acetyloxy-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate

chemical compound

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instance of

type of chemical entity

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subclass of

[(1S,2R,4S,7R,9R,10S,11S,12S)-11-Acetyloxy-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

[(2R,4S,10R,11S)-11-acetyloxy-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

466.220282668 dalton

1 reference

2 references

inferred from InChIKey

1 reference

C₂₄H₃₄O₉

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canonical SMILES

O=C(OCC12CC(OC(=O)CC(C)C)C(=CC2OC3C(O)C(OC(=O)C)C1(C)C43OC4)C)C

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isomeric SMILES

CC(=O)OC[C@]12C[C@@H](OC(=O)CC(C)C)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2

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found in taxon

Fusarium

1 reference

stated in

The structures of toxins from two strains of Fusarium tricinctum

Identifiers

InChI

InChI=1S/C24H34O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)17(8-13(16)3)33-21-19(28)20(31-15(5)26)22(23,6)24(21)11-30-24/h8,12,16-17,19-21,28H,7,9-11H2,1-6H3/t16-,17-,19-,20-,21-,22-,23-,24-/m1/s1

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InChIKey

BXFOFFBJRFZBQZ-UWQKNWQOSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104947956)

[(1S,2R,4R,7R,9R,10R,11S,12R)-11-acetyloxy-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate

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