(3aR,4S,9aS,9bR)-9-(Hydroxymethyl)-6-methyl-3-methylene-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-4-yl 2-(4-hydroxyphenyl)acetate, 97%

cas: 65725-11-3 — see every product listed under this CAS number, including other names

(3aR,4S,9aS,9bR)-9-(Hydroxymethyl)-6-methyl-3-methylene-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-4-yl 2-(4-hydroxyphenyl)acetate, 97% (CAS 65725-11-3) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 5mg, 10mg. Offered by: Chemat.

brandChemat
catalog numberCh11FGZG-1mg
cas65725-11-3
size1mg
availability 0.05g
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Available pack sizes

brand size price
Chemat 1mg 846.80 Pln
Chemat 5mg 2320.40 Pln
Chemat 10mg 3674.00 Pln

properties

purity97%
delivery time3 weeks
Structural formula: {0} (CAS {1})

Lactucopicrin is a sesquiterpene lactone obtained by formal condensation of the carboxy group of 4-hydroxyphenylacetic acid with the 8-hydroxy group of lactucin. Found in chicory. It has a role as a sedative, an antimalarial and a plant metabolite. It is a primary alcohol, a member of phenols, a cyclic terpene ketone, a sesquiterpene lactone, an azulenofuran and an enone. It is functionally related to a 4-hydroxyphenylacetic acid and a lactucin.

Source: ChEBI

Identity
Molecular formulaC23H22O7
Molecular weight410.4 g/mol
IUPAC name[(3aR,4S,9aS,9bR)-9-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-(4-hydroxyphenyl)acetate
InChIKeyUMVSOHBRAQTGQI-XGARDCMYSA-N
SMILESCC1=C2[C@@H]([C@@H]3[C@@H]([C@H](C1)OC(=O)CC4=CC=C(C=C4)O)C(=C)C(=O)O3)C(=CC2=O)CO

Computed by PubChem (NCBI)

Synonyms: Lactupicrin, Lactopicrin, MEGxp0_000597, ACon1_000375, Lactupicrin (Standard), orb1682243, orb2900167
Isomers (same molecular formula)
[3-acetyloxy-5-[(E)-2-(4-acetyloxyphenyl)ethenyl]phenyl] 4-oxopentanoate C23H22O7
(1R,14R)-14-hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one C23H22O7
(1S,14S)-11-hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one C23H22O7
5-hydroxy-8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)pyrano[2,3-h]chromen-4-one C23H22O7
(1R,6R,13R)-13-hydroxy-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one C23H22O7
16,17-dimethoxy-6-(2-methyloxiran-2-yl)-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one C23H22O7
(1S,6R,13S)-10-hydroxy-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one C23H22O7
14-hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one C23H22O7
(2R)-4-hydroxy-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylic acid C23H22O7
[(Z)-3-[(2R,3R)-3-(acetyloxymethyl)-3-(benzoyloxymethyl)oxiran-2-yl]prop-2-enyl] benzoate C23H22O7
(12R,13R,16S)-3',4'-dimethoxy-5,5-dimethylspiro[6,14,17-trioxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,8-tetraene-13,6'-cyclohexa-2,4-diene]-1',11-dione C23H22O7
(1S,6R,13S)-6-(3-hydroxyprop-1-en-2-yl)-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one C23H22O7

Also listed as

Lactupicrin TargetMol CAS 65725-11-3
Lactupicrin (Standard) MedChemExpress CAS 65725-11-3
Lactupicrin, 99.74% MedChemExpress CAS 65725-11-3