(Q105216768)

English

3,5-Bis(3-methyl-2-butenyl)-4-hydroxybenzoic acid 1-isopropyl-4-methyl-3-cyclohexen-1beta-yl ester

chemical compound

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instance of

type of chemical entity

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subclass of

(4-Methyl-1-propan-2-ylcyclohex-3-en-1-yl) 4-hydroxy-3,5-bis(3-methylbut-2-enyl)benzoate

1 reference

based on heuristic

inferred from SMILES

mass

410.282095076 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₈O₃

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canonical SMILES

O=C(OC1(CC=C(C)CC1)C(C)C)C=2C=C(C(O)=C(C2)CC=C(C)C)CC=C(C)C

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isomeric SMILES

CC(C)=CCc1cc(C(=O)O[C@@]2(C(C)C)CC=C(C)CC2)cc(CC=C(C)C)c1O

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found in taxon

Piper aduncum

1 reference

stated in

Five new prenylated p-hydroxybenzoic acid derivatives with antimicrobial and molluscicidal activity from Piper aduncum leaves

Identifiers

InChI

InChI=1S/C27H38O3/c1-18(2)8-10-22-16-24(17-23(25(22)28)11-9-19(3)4)26(29)30-27(20(5)6)14-12-21(7)13-15-27/h8-9,12,16-17,20,28H,10-11,13-15H2,1-7H3/t27-/m0/s1

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InChIKey

PYSQNLGCMZDKLK-MHZLTWQESA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

PYSQNLGCMZDKLK-MHZLTWQESA-N

1 reference

(Q105216768)

3,5-Bis(3-methyl-2-butenyl)-4-hydroxybenzoic acid 1-isopropyl-4-methyl-3-cyclohexen-1beta-yl ester

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