(Q105327501)

English

[(10R,11S)-3,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] acetate

group of stereoisomers with the chemical formula C₁₇H₂₂O₈

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Statements

group of stereoisomers

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trichothecane sesquiterpenoid

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trichothecane sesquiterpenoid

354.13146766399996 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₇H₂₂O₈

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canonical SMILES

O=C(OC1C(O)C2OC3C=C(C(=O)C(O)C3(CO)C1(C)C42OC4)C)C

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isomeric SMILES

CC(=O)O[C@@H]1[C@@H](O)C2OC3C=C(C)C(=O)C(O)C3(CO)C1(C)C21CO1

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Identifiers

InChI=1S/C17H22O8/c1-7-4-9-16(5-18,12(22)10(7)20)15(3)13(24-8(2)19)11(21)14(25-9)17(15)6-23-17/h4,9,11-14,18,21-22H,5-6H2,1-3H3/t9?,11-,12?,13-,14?,15?,16?,17?/m1/s1

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XGCUCFKWVIWWNW-XPPGKSPYSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

XGCUCFKWVIWWNW-XPPGKSPYSA-N

UniChem compound ID

1 reference

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