(Q125029750)

English

phenylethyl n-octacosanoate

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instance of

type of chemical entity

0 references

subclass of

guaiane sesquiterpenoid

1 reference

based on heuristic

inferred from SMILES

mass

342.14672380400003 dalton

1 reference

based on heuristic

inferred from SMILES

342.146723804 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aR,4S,9aR,9bR)-6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3aR,4R,9aS,9bS)-6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3aS,4R,9aS,9bS)-6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₂O₅

0 references

canonical SMILES

O=C(OC1CC(=C2C(=O)C=C(C)C2C3OC(=O)C(=C)C13)C)C(=CC)C

0 references

isomeric SMILES

C=C1C(=O)O[C@@H]2[C@H]3C(C)=CC(=O)C3=C(C)C[C@H](OC(=O)/C(C)=C/C)[C@@H]12

0 references

found in taxon

Achillea distans

1 reference

stated in

Terpenoids from Achillea distans Waldst. & Kit. ex Willed

Identifiers

InChI

InChI=1S/C20H22O5/c1-6-9(2)19(22)24-14-8-11(4)15-13(21)7-10(3)16(15)18-17(14)12(5)20(23)25-18/h6-7,14,16-18H,5,8H2,1-4H3/b9-6+/t14-,16-,17+,18+/m0/s1

0 references

InChIKey

SOUHOZAOAMAEFT-MPAFPUPLSA-N

0 references

2 references

26 April 2024

inferred from InChIKey

matched by identifier from

InChIKey

SOUHOZAOAMAEFT-MPAFPUPLSA-N

(Q125029750)

phenylethyl n-octacosanoate

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