(Q104992623)

English

[2-[(2S)-2-(acetyloxymethyl)oxiran-2-yl]-5-(2-methylpropoxymethyl)phenyl] 2-methylpropanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[2-[2-(Acetyloxymethyl)oxiran-2-yl]-5-(2-methylpropoxymethyl)phenyl] 2-methylpropanoate

1 reference

based on heuristic

inferred from SMILES

mass

364.188588616 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₆

0 references

canonical SMILES

O=C(OCC1(OC1)C2=CC=C(C=C2OC(=O)C(C)C)COCC(C)C)C

0 references

isomeric SMILES

CC(=O)OC[C@]1(c2ccc(COCC(C)C)cc2OC(=O)C(C)C)CO1

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found in taxon

Calea nelsonii

1 reference

stated in

A thymol derivative from Calea nelsonii

Calea ternifolia

1 reference

stated in

A thymol derivative from Calea nelsonii

Identifiers

InChI

InChI=1S/C20H28O6/c1-13(2)9-23-10-16-6-7-17(18(8-16)26-19(22)14(3)4)20(12-25-20)11-24-15(5)21/h6-8,13-14H,9-12H2,1-5H3/t20-/m1/s1

0 references

InChIKey

FBGVFKXABXCDJN-HXUWFJFHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FBGVFKXABXCDJN-HXUWFJFHSA-N

(Q104992623)

[2-[(2S)-2-(acetyloxymethyl)oxiran-2-yl]-5-(2-methylpropoxymethyl)phenyl] 2-methylpropanoate

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Identifiers

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