(Q105209671)

English

(6E)-8-{4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenoxy}-2,6-dimethylocta-1,6-dien-4-ol

group of stereoisomers with the chemical formula C₂₁H₃₀O₅

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Statements

group of stereoisomers

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2,6-dimethyloctane monoterpenoid

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2,6-dimethyloctane monoterpenoid

362.20932406 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₀O₅

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canonical SMILES

OCC=CC1=CC(OC)=C(OCC=C(C)CC(O)CC(=C)C)C(OC)=C1

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isomeric SMILES

C=C(C)CC(O)C/C(C)=C/COc1c(OC)cc(/C=C/CO)cc1OC

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C21H30O5/c1-15(2)11-18(23)12-16(3)8-10-26-21-19(24-4)13-17(7-6-9-22)14-20(21)25-5/h6-8,13-14,18,22-23H,1,9-12H2,2-5H3/b7-6+,16-8+

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PIRMSMJKOZAZOF-QICXOPSUSA-N

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matched by identifier from

PIRMSMJKOZAZOF-QICXOPSUSA-N

NMRShiftDB structure ID

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matched by identifier from

PIRMSMJKOZAZOF-QICXOPSUSA-N

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