(Q105152877)

English

[(1S,2R,7R,11R,12S)-1,2,5-trimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] (Z)-but-2-enoate

group of stereoisomers with the chemical formula C₁₉H₂₄O₅

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Statements

instance of

group of stereoisomers

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subclass of

trichothecane sesquiterpenoid

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inferred from

trichothecane sesquiterpenoid

mass

332.162373868 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₄O₅

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canonical SMILES

O=C(OC1CC2OC3C=C(C(=O)CC3(C)C1(C)C42OC4)C)C=CC

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isomeric SMILES

C/C=C\C(=O)O[C@@H]1CC2O[C@@H]3C=C(C)C(=O)C[C@]3(C)[C@]1(C)[C@]21CO1

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Identifiers

InChI

InChI=1S/C19H24O5/c1-5-6-16(21)24-14-8-15-19(10-22-19)18(14,4)17(3)9-12(20)11(2)7-13(17)23-15/h5-7,13-15H,8-10H2,1-4H3/b6-5-/t13-,14-,15?,17+,18-,19+/m1/s1

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InChIKey

LJWZOKOFCBPNAG-OJQULLQUSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

LJWZOKOFCBPNAG-OJQULLQUSA-N

1 reference

(Q105152877)

[(1S,2R,7R,11R,12S)-1,2,5-trimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] (Z)-but-2-enoate

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Identifiers

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