(Q105120042)

English

[(1R,8aR)-7-(2-hydroxypropan-2-yl)-1,8a-dimethyl-6-oxo-1,2,3,4-tetrahydronaphthalen-2-yl] (Z)-2-methylbut-2-enoate

group of stereoisomers with the chemical formula C₂₀H₂₈O₄

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Statements

instance of

group of stereoisomers

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subclass of

eremophilane sesquiterpenoid

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inferred from

eremophilane sesquiterpenoid

mass

332.198759376 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₄

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canonical SMILES

O=C(OC1CCC2=CC(=O)C(=CC2(C)C1C)C(O)(C)C)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)OC1CCC2=CC(=O)C(C(C)(C)O)=C[C@]2(C)[C@H]1C

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found in taxon

Petasites formosanus

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stated in

Four new sesquiterpenes from Petasites formosanus

Identifiers

InChI

InChI=1S/C20H28O4/c1-7-12(2)18(22)24-17-9-8-14-10-16(21)15(19(4,5)23)11-20(14,6)13(17)3/h7,10-11,13,17,23H,8-9H2,1-6H3/b12-7-/t13-,17?,20+/m0/s1

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InChIKey

ITHGBLBTVGSKLJ-RGZXBJDZSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ITHGBLBTVGSKLJ-RGZXBJDZSA-N

1 reference

(Q105120042)

[(1R,8aR)-7-(2-hydroxypropan-2-yl)-1,8a-dimethyl-6-oxo-1,2,3,4-tetrahydronaphthalen-2-yl] (Z)-2-methylbut-2-enoate

Statements

Identifiers

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