(Q104253947)

English

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

group of stereoisomers with the chemical formula C₂₂H₃₂O₈

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instance of

group of stereoisomers

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subclass of

trichothecane sesquiterpenoid

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inferred from

trichothecane sesquiterpenoid

mass

424.2097179839999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₂H₃₂O₈

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canonical SMILES

O=C(OCC12CC(OC(=O)CC(C)C)C(=CC2OC3C(O)C(O)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]1OC1[C@H](O)[C@@H](O)C2(C)C12CO2

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Identifiers

InChI

InChI=1S/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15+,17+,18+,19?,20?,21+,22?/m0/s1

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InChIKey

PNKLMTPXERFKEN-HQCOZMOOSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

PNKLMTPXERFKEN-HQCOZMOOSA-N

1 reference

(Q104253947)

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

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