Products 3040102-76-6

CAS 3040102-76-6 is the registry number for Anti-neuroinflammation agent 2. Offered by: MedChemExpress. Available pack sizes: Get quote.

Anti-neuroinflammation agent 2
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Structural formula: {0} (CAS {1})

4,6-dihydroxy-2-pentyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid (CAS 3040102-76-6) is a chemical compound with the molecular formula C27H40O4 and a molecular weight of 428.6 g/mol. IUPAC name: 4,6-dihydroxy-2-pentyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid. InChIKey: JAUZBRYSKZELSW-QUIOSVDYSA-N.

Identity
Molecular formulaC27H40O4
Molecular weight428.6 g/mol
IUPAC name4,6-dihydroxy-2-pentyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid
InChIKeyJAUZBRYSKZELSW-QUIOSVDYSA-N
SMILESCCCCCC1=C(C(=CC(=C1C(=O)O)O)O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C

Computed by PubChem (NCBI)

Synonyms: Anti-neuroinflammation agent 2, orb2945205
Isomers (same molecular formula)
methyl (4R)-4-[(3R,5R,8S,10S,13S,14S)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate C27H40O4
[(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] hexanoate C27H40O4
[4-(4-butylcyclohexanecarbonyl)oxyphenyl] 4-propylcyclohexane-1-carboxylate C27H40O4
cyclohexylmethyl [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] carbonate C27H40O4
(1S,2S,4S,6R,7S,8R,9S,12S,13R,14R,16R)-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14,16-diol C27H40O4
(4S,5S,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,6,10-triene-4,5-diol C27H40O4
(1R,2S,4S,5'R,6R,7S,8R,9S,10S,12S,13R)-10-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-ene-6,2'-oxane]-16-one C27H40O4
(1R,2S,4S,5'S,6R,7S,8R,9S,10R,12S,13R)-10-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-ene-6,2'-oxane]-16-one C27H40O4
5-methoxy-4-(4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)oxolan-2-one C27H40O4
(1S,2S,4S,6R,7S,8R,9S,12S,13R,14R,16S)-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.014,18]icos-18-ene-6,2'-oxane]-13,16-diol C27H40O4
3-[2-[(2R,4aS,5R,8aS)-2,4a-dimethyl-5-(4-methylpent-3-enyl)-6-oxo-3,4,5,7,8,8a-hexahydro-1H-naphthalen-2-yl]ethyl]-4-hydroxy-5,6-dimethylpyran-2-one C27H40O4
(1R,2S,4S,6R,7S,8R,9S,12S,13S,16S,18R)-16-hydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one C27H40O4

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