CAS RN: 85963-48-0
CAS Name: (5S,6R,7E,9E,11Z,13E,15S)-6-[(2-amino-2-carboxyethyl)thio]-5,15-dihydroxyeicosa-7,9,11,13-tetraenoic acid
OPENEYE Name: (5S,6R,7E,9E,11Z,13E,15S)-6-(2-amino-2-carboxy-ethyl)sulfanyl-5,15-dihydroxy-icosa-7,9,11,13-tetraenoic acid
IUPAC Name: (5S,6R,7E,9E,11Z,13E,15S)-6-(2-amino-2-carboxyethyl)sulfanyl-5,15-dihydroxyicosa-7,9,11,13-tetraenoic acid
SYSTEMATIC NAME: (5S,6R,7E,9E,11Z,13E,15S)-6-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-5,15-bis(oxidanyl)icosa-7,9,11,13-tetraenoic acid
MOLECULAR FORMULA: C23H37NO6S
MOLECULAR WEIGHT: 455.60798
SMILES: CCCCC[C@@H](/C=C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SCC(C(=O)O)N)O
Structure:
CAS RN: 85924-33-0
CAS Name: 4-[2-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]phenyl]butanoic acid
OPENEYE Name: 4-[2-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]phenyl]butanoic acid
IUPAC Name: 4-[2-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]phenyl]butanoic acid
SYSTEMATIC NAME: 4-[2-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]phenyl]butanoic acid
MOLECULAR FORMULA: C24H34O2
MOLECULAR WEIGHT: 354.52556
SMILES: CCCCC/C=C\C/C=C\C/C=C\CC1=CC=CC=C1CCCC(=O)O
Structure:
CAS RN: 85924-32-9
CAS Name: (5Z,8Z,11Z,14Z)-10,10-dimethyleicosa-5,8,11,14-tetraenoic acid
OPENEYE Name: (5Z,8Z,11Z,14Z)-10,10-dimethylicosa-5,8,11,14-tetraenoic acid
IUPAC Name: (5Z,8Z,11Z,14Z)-10,10-dimethylicosa-5,8,11,14-tetraenoic acid
SYSTEMATIC NAME: (5Z,8Z,11Z,14Z)-10,10-dimethylicosa-5,8,11,14-tetraenoic acid
MOLECULAR FORMULA: C22H36O2
MOLECULAR WEIGHT: 332.52004
SMILES: CCCCC/C=C\C/C=C\C(C)(C)/C=C\C/C=C\CCCC(=O)O
Structure:
CAS RN: 41650-30-0
CAS Name: (9Z,12Z)-18-oxooctadeca-9,12-dienoic acid methyl ester
OPENEYE Name: methyl (9Z,12Z)-18-oxooctadeca-9,12-dienoate
IUPAC Name: methyl (9Z,12Z)-18-oxooctadeca-9,12-dienoate
SYSTEMATIC NAME: methyl (9Z,12Z)-18-oxidanylideneoctadeca-9,12-dienoate
MOLECULAR FORMULA: C19H32O3
MOLECULAR WEIGHT: 308.45558
SMILES: COC(=O)CCCCCCC/C=C\C/C=C\CCCCC=O
Structure:
CAS RN: 41588-56-1
CAS Name: (E)-11-(3-pentyl-2-oxiranyl)-9-undeceneperoxoic acid methoxy ester
OPENEYE Name: methoxy (E)-11-(3-pentyloxiran-2-yl)undec-9-eneperoxoate
IUPAC Name: methoxy (E)-11-(3-pentyloxiran-2-yl)undec-9-eneperoxoate
SYSTEMATIC NAME: methoxy (E)-11-(3-pentyloxiran-2-yl)undec-9-eneperoxoate
MOLECULAR FORMULA: C19H34O5
MOLECULAR WEIGHT: 342.47026
SMILES: CCCCCC1C(O1)C/C=C/CCCCCCCC(=O)OOOC
Structure:
CAS RN: 85915-86-2
CAS Name: (E)-3-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-4-[(2-hydroxyphenyl)methoxy]-4-oxo-2-butenoic acid
OPENEYE Name: (E)-3-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-4-[(2-hydroxyphenyl)methoxy]-4-oxo-but-2-enoic acid
IUPAC Name: (E)-3-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-4-[(2-hydroxyphenyl)methoxy]-4-oxobut-2-enoic acid
SYSTEMATIC NAME: (E)-3-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-4-[(2-hydroxyphenyl)methoxy]-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C22H25NO7
MOLECULAR WEIGHT: 415.4364
SMILES: COC1=C(C=C(C=C1)CCNC/C(=C\C(=O)O)/C(=O)OCC2=CC=CC=C2O)OC
Structure:
CAS RN: 85851-95-2
CAS Name: 5-[2-hydroxy-3-[4-[(E)-1-oxo-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]-1-piperazinyl]propoxy]-2,3-dihydro-1,4-benzodioxin-8-carboxylic acid 3-methylbutyl ester
OPENEYE Name: isopentyl 5-[2-hydroxy-3-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propoxy]-2,3-dihydro-1,4-benzodioxine-8-carboxylate
IUPAC Name: 3-methylbutyl 5-[2-hydroxy-3-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propoxy]-2,3-dihydro-1,4-benzodioxine-8-carboxylate
SYSTEMATIC NAME: 3-methylbutyl 5-[2-oxidanyl-3-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propoxy]-2,3-dihydro-1,4-benzodioxine-8-carboxylate
MOLECULAR FORMULA: C33H44N2O10
MOLECULAR WEIGHT: 628.70986
SMILES: CC(C)CCOC(=O)C1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C(=O)/C=C/C4=CC(=C(C(=C4)OC)OC)OC)O)OCCO2
Structure:
CAS RN: 85819-52-9
CAS Name: (E)-3-[4-hydroxy-3-[(E)-4-hydroxy-3-methylbut-2-enyl]-5-(3-methylbut-2-enyl)phenyl]-2-propenoic acid
OPENEYE Name: (E)-3-[4-hydroxy-3-[(E)-4-hydroxy-3-methyl-but-2-enyl]-5-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid
IUPAC Name: (E)-3-[4-hydroxy-3-[(E)-4-hydroxy-3-methylbut-2-enyl]-5-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[3-(3-methylbut-2-enyl)-5-[(E)-3-methyl-4-oxidanyl-but-2-enyl]-4-oxidanyl-phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C19H24O4
MOLECULAR WEIGHT: 316.39146
SMILES: CC(=CCC1=C(C(=CC(=C1)/C=C/C(=O)O)C/C=C(\C)/CO)O)C
Structure:
CAS RN: 85819-51-8
CAS Name: (E)-3-[4-hydroxy-3-[(Z)-4-hydroxy-3-methylbut-2-enyl]-5-(3-methylbut-2-enyl)phenyl]-2-propenoic acid
OPENEYE Name: (E)-3-[4-hydroxy-3-[(Z)-4-hydroxy-3-methyl-but-2-enyl]-5-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid
IUPAC Name: (E)-3-[4-hydroxy-3-[(Z)-4-hydroxy-3-methylbut-2-enyl]-5-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[3-(3-methylbut-2-enyl)-5-[(Z)-3-methyl-4-oxidanyl-but-2-enyl]-4-oxidanyl-phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C19H24O4
MOLECULAR WEIGHT: 316.39146
SMILES: CC(=CCC1=C(C(=CC(=C1)/C=C/C(=O)O)C/C=C(/C)\CO)O)C
Structure:
CAS RN: 85798-84-1
CAS Name: (E)-7-[3-[(2-hydroxy-3-phenylpropyl)amino]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]-5-heptenoic acid
OPENEYE Name: (E)-7-[3-[(2-hydroxy-3-phenyl-propyl)amino]-6,6-dimethyl-norpinan-2-yl]hept-5-enoic acid
IUPAC Name: (E)-7-[3-[(2-hydroxy-3-phenylpropyl)amino]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
SYSTEMATIC NAME: (E)-7-[6,6-dimethyl-3-[(2-oxidanyl-3-phenyl-propyl)amino]-4-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
MOLECULAR FORMULA: C25H37NO3
MOLECULAR WEIGHT: 399.56618
SMILES: CC1(C2CC1C(C(C2)NCC(CC3=CC=CC=C3)O)C/C=C/CCCC(=O)O)C
Structure:
CAS RN: 85679-51-2
CAS Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R,5S)-3-hydroxy-5-methylnon-1-enyl]-5-oxocyclopentyl]-6-oxoheptanoic acid methyl ester
OPENEYE Name: methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R,5S)-3-hydroxy-5-methyl-non-1-enyl]-5-oxo-cyclopentyl]-6-oxo-heptanoate
IUPAC Name: methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R,5S)-3-hydroxy-5-methylnon-1-enyl]-5-oxocyclopentyl]-6-oxoheptanoate
SYSTEMATIC NAME: methyl 7-[(1R,2R,3R)-2-[(E,3R,5S)-5-methyl-3-oxidanyl-non-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]-6-oxidanylidene-heptanoate
MOLECULAR FORMULA: C23H38O6
MOLECULAR WEIGHT: 410.54422
SMILES: CCCC[C@H](C)C[C@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CC(=O)CCCCC(=O)OC)O)O
Structure:
CAS RN: 85589-25-9
CAS Name: (5E,8E,14E)-10,11,12-trihydroxyeicosa-5,8,14-trienoic acid
OPENEYE Name: (5E,8E,14E)-10,11,12-trihydroxyicosa-5,8,14-trienoic acid
IUPAC Name: (5E,8E,14E)-10,11,12-trihydroxyicosa-5,8,14-trienoic acid
SYSTEMATIC NAME: (5E,8E,14E)-10,11,12-tris(oxidanyl)icosa-5,8,14-trienoic acid
MOLECULAR FORMULA: C20H34O5
MOLECULAR WEIGHT: 354.48096
SMILES: CCCCC/C=C/CC(C(C(/C=C/C/C=C/CCCC(=O)O)O)O)O
Structure:
CAS RN: 85572-47-0
CAS Name: (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17S)-3-hydroxy-10,13-dimethyl-7-[(Z)-1-oxooctadec-9-enoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
OPENEYE Name: (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17S)-3-hydroxy-10,13-dimethyl-7-[(Z)-octadec-9-enoyl]oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
IUPAC Name: (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17S)-3-hydroxy-10,13-dimethyl-7-[(Z)-octadec-9-enoyl]oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
SYSTEMATIC NAME: (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-7-[(Z)-octadec-9-enoyl]oxy-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
MOLECULAR FORMULA: C42H72O5
MOLECULAR WEIGHT: 657.01808
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H]1C[C@@H]2C[C@@H](CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@H]([C@]4(CC3)C)[C@H](C)CCC(=O)O)C)O
Structure:
CAS RN: 85563-62-8
CAS Name: (E)-10-hydroxy-10-(3-pentyl-2-oxiranyl)-8-decenoic acid
OPENEYE Name: (E)-10-hydroxy-10-(3-pentyloxiran-2-yl)dec-8-enoic acid
IUPAC Name: (E)-10-hydroxy-10-(3-pentyloxiran-2-yl)dec-8-enoic acid
SYSTEMATIC NAME: (E)-10-oxidanyl-10-(3-pentyloxiran-2-yl)dec-8-enoic acid
MOLECULAR FORMULA: C17H30O4
MOLECULAR WEIGHT: 298.4177
SMILES: CCCCCC1C(O1)C(/C=C/CCCCCCC(=O)O)O
Structure:
CAS RN: 85563-59-3
CAS Name: 2-[(1Z,3Z,5Z,7Z)-9-hexadecoxy-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
OPENEYE Name: 2-[(1Z,3Z,5Z,7Z)-9-hexadecoxy-3,7-dimethyl-nona-1,3,5,7-tetraenyl]-1,3,3-trimethyl-cyclohexene
IUPAC Name: 2-[(1Z,3Z,5Z,7Z)-9-hexadecoxy-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
SYSTEMATIC NAME: 2-[(1Z,3Z,5Z,7Z)-9-hexadecoxy-3,7-dimethyl-nona-1,3,5,7-tetraenyl]-1,3,3-trimethyl-cyclohexene
MOLECULAR FORMULA: C36H62O
MOLECULAR WEIGHT: 510.87688
SMILES: CCCCCCCCCCCCCCCCOC/C=C(/C)\C=C/C=C(/C)\C=C/C1=C(CCCC1(C)C)C
Structure:
CAS RN: 103064-20-6
CAS Name: (4R,6S)-6-[(E)-2-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]ethenyl]-4-hydroxy-2-oxanone
OPENEYE Name: (4R,6S)-6-[(E)-2-[2-(4-fluoro-3-methyl-phenyl)-4,6-dimethyl-phenyl]vinyl]-4-hydroxy-tetrahydropyran-2-one
IUPAC Name: (4R,6S)-6-[(E)-2-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]ethenyl]-4-hydroxyoxan-2-one
SYSTEMATIC NAME: (4R,6S)-6-[(E)-2-[2-(4-fluoranyl-3-methyl-phenyl)-4,6-dimethyl-phenyl]ethenyl]-4-oxidanyl-oxan-2-one
MOLECULAR FORMULA: C22H23FO3
MOLECULAR WEIGHT: 354.414623
SMILES: CC1=CC(=C(C(=C1)C2=CC(=C(C=C2)F)C)/C=C/[C@@H]3C[C@H](CC(=O)O3)O)C
Structure:
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