CAS RN: 25217-88-3
CAS Name: 2-[(4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-2,31-dihydroxy-2,6,10,14,19,23,27,31-octamethyl-30-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]dotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaen-3-yl]oxy-6-methyloxane-3,4,5-triol
OPENEYE Name: 2-[(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-29-hydroxy-1-(1-hydroxy-1-methyl-ethyl)-4,8,12,17,21,25,29-heptamethyl-28-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-triaconta-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaenoxy]-6-methyl-tetrahyd
IUPAC Name: 2-[(4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-2,31-dihydroxy-2,6,10,14,19,23,27,31-octamethyl-30-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxydotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaen-3-yl]oxy-6-methyloxane-3,4,5-triol
SYSTEMATIC NAME: 2-methyl-6-[(4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-2,6,10,14,19,23,27,31-octamethyl-30-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,31-bis(oxidanyl)dotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaen-3-yl]oxy-oxane-3,4,5-triol
MOLECULAR FORMULA: C52H76O12
MOLECULAR WEIGHT: 893.15264
SMILES: CC1OC(C(C(C1O)O)O)OC(C(O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/C(OC2OC(C(C(C2O)O)O)C)C(O)(C)C)\C)\C)\C)/C)/C)/C
Structure:
CAS RN: 22737-96-8
CAS Name: (2Z,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-1-nona-2,4,6,8-tetraenol
OPENEYE Name: (2Z,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol
IUPAC Name: (2Z,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol
SYSTEMATIC NAME: (2Z,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol
MOLECULAR FORMULA: C20H30O
MOLECULAR WEIGHT: 286.4516
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C\C(=C/CO)\C)/C
Structure:
CAS RN: 22001-55-4
CAS Name: N-methylcarbamic acid [4-methyl-2-[(E)-prop-1-enyl]phenyl] ester
OPENEYE Name: [4-methyl-2-[(E)-prop-1-enyl]phenyl] N-methylcarbamate
IUPAC Name: [4-methyl-2-[(E)-prop-1-enyl]phenyl] N-methylcarbamate
SYSTEMATIC NAME: [4-methyl-2-[(E)-prop-1-enyl]phenyl] N-methylcarbamate
MOLECULAR FORMULA: C12H15NO2
MOLECULAR WEIGHT: 205.253
SMILES: C/C=C/C1=C(C=CC(=C1)C)OC(=O)NC
Structure:
CAS RN: 60621-20-7
CAS Name: (E)-1-octen-1-ol
OPENEYE Name: (E)-oct-1-en-1-ol
IUPAC Name: (E)-oct-1-en-1-ol
SYSTEMATIC NAME: (E)-oct-1-en-1-ol
MOLECULAR FORMULA: C8H16O
MOLECULAR WEIGHT: 128.21204
SMILES: CCCCCC/C=C/O
Structure:
CAS RN: 60314-89-8
CAS Name: (Z)-2-[(2S,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-methoxy-2-propenoic acid methyl ester
OPENEYE Name: methyl (Z)-2-[(2S,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-methoxy-prop-2-enoate
IUPAC Name: methyl (Z)-2-[(2S,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
SYSTEMATIC NAME: methyl (Z)-2-[(2S,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-methoxy-prop-2-enoate
MOLECULAR FORMULA: C22H26N2O3
MOLECULAR WEIGHT: 366.45344
SMILES: C/C=C\1/CN2CCC3=C([C@@H]2C[C@@H]1/C(=C/OC)/C(=O)OC)NC4=CC=CC=C34
Structure:
CAS RN: 60307-79-1
CAS Name: (E)-3-(2,4-dichlorophenoxy)-2-propenoic acid 1-cyanoethyl ester
OPENEYE Name: 1-cyanoethyl (E)-3-(2,4-dichlorophenoxy)prop-2-enoate
IUPAC Name: 1-cyanoethyl (E)-3-(2,4-dichlorophenoxy)prop-2-enoate
SYSTEMATIC NAME: 1-cyanoethyl (E)-3-[2,4-bis(chloranyl)phenoxy]prop-2-enoate
MOLECULAR FORMULA: C12H9Cl2NO3
MOLECULAR WEIGHT: 286.11076
SMILES: CC(C#N)OC(=O)/C=C/OC1=C(C=C(C=C1)Cl)Cl
Structure:
CAS RN: 60147-85-5
CAS Name: hexanoic acid [(2Z,4E,6E,8E,10E,12E,14E)-2-[2-[(2R,4S)-4-acetyloxy-2-hydroxy-2,6,6-trimethylcyclohexylidene]ethenyl]-17-[(1R,3S,6S)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-6,11,15-trimethyl-16-oxoheptadeca-2,4,6,8,10,12,14-heptaenyl] est
OPENEYE Name: [(2Z,4E,6E,8E,10E,12E,14E)-2-[2-[(2R,4S)-4-acetoxy-2-hydroxy-2,6,6-trimethyl-cyclohexylidene]vinyl]-17-[(1R,3S,6S)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-6,11,15-trimethyl-16-oxo-heptadeca-2,4,6,8,10,12,14-heptaenyl] hexanoate
IUPAC Name: [(2Z,4E,6E,8E,10E,12E,14E)-2-[2-[(2R,4S)-4-acetyloxy-2-hydroxy-2,6,6-trimethylcyclohexylidene]ethenyl]-17-[(1R,3S,6S)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-6,11,15-trimethyl-16-oxoheptadeca-2,4,6,8,10,12,14-heptaenyl] hexanoate
SYSTEMATIC NAME: [(2Z,4E,6E,8E,10E,12E,14E)-2-[2-[(4S,6R)-4-acetyloxy-2,2,6-trimethyl-6-oxidanyl-cyclohexylidene]ethenyl]-6,11,15-trimethyl-16-oxidanylidene-17-[(1R,3S,6S)-1,5,5-trimethyl-3-oxidanyl-7-oxabicyclo[4.1.0]heptan-6-yl]heptadeca-2,4,6,8,10,12,14-heptaenyl] hexa
MOLECULAR FORMULA: C48H68O8
MOLECULAR WEIGHT: 773.04872
SMILES: CCCCCC(=O)OC/C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)C[C@]12[C@](O1)(C[C@H](CC2(C)C)O)C)\C)/C=C=C3[C@](C[C@H](CC3(C)C)OC(=O)C)(C)O
Structure:
CAS RN: 60146-13-6
CAS Name: (E)-3-(2,4-dichlorophenoxy)-2-propenoic acid cyanomethyl ester
OPENEYE Name: cyanomethyl (E)-3-(2,4-dichlorophenoxy)prop-2-enoate
IUPAC Name: cyanomethyl (E)-3-(2,4-dichlorophenoxy)prop-2-enoate
SYSTEMATIC NAME: cyanomethyl (E)-3-[2,4-bis(chloranyl)phenoxy]prop-2-enoate
MOLECULAR FORMULA: C11H7Cl2NO3
MOLECULAR WEIGHT: 272.08418
SMILES: C1=CC(=C(C=C1Cl)Cl)O/C=C/C(=O)OCC#N
Structure:
CAS RN: 60146-12-5
CAS Name: (E)-3-(2,4-dichlorophenoxy)-2-propenoic acid (2-amino-2-oxoethyl) ester
OPENEYE Name: (2-amino-2-oxo-ethyl) (E)-3-(2,4-dichlorophenoxy)prop-2-enoate
IUPAC Name: (2-amino-2-oxoethyl) (E)-3-(2,4-dichlorophenoxy)prop-2-enoate
SYSTEMATIC NAME: (2-azanyl-2-oxidanylidene-ethyl) (E)-3-[2,4-bis(chloranyl)phenoxy]prop-2-enoate
MOLECULAR FORMULA: C11H9Cl2NO4
MOLECULAR WEIGHT: 290.09946
SMILES: C1=CC(=C(C=C1Cl)Cl)O/C=C/C(=O)OCC(=O)N
Structure:
CAS RN: 60066-35-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H20O7
MOLECULAR WEIGHT: 360.3579
SMILES: CC(=C)C(=O)OC1CC2(C(=O)C=C(O2)/C(=C\C3[C@@H]1C(=C)C(=O)O3)/CO)C
Structure:
CAS RN: 58947-84-5
CAS Name: 2-[(2E,5E,7E)-10-hydroxy-3,7,9-trimethyl-10-(2-methyl-3-propan-2-yl-2-oxiranyl)deca-2,5,7-trienyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
OPENEYE Name: 2-[(2E,5E,7E)-10-hydroxy-10-(3-isopropyl-2-methyl-oxiran-2-yl)-3,7,9-trimethyl-deca-2,5,7-trienyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
IUPAC Name: 2-[(2E,5E,7E)-10-hydroxy-3,7,9-trimethyl-10-(2-methyl-3-propan-2-yloxiran-2-yl)deca-2,5,7-trienyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
SYSTEMATIC NAME: 2,3-dimethoxy-5-methyl-6-[(2E,5E,7E)-3,7,9-trimethyl-10-(2-methyl-3-propan-2-yl-oxiran-2-yl)-10-oxidanyl-deca-2,5,7-trienyl]-1H-pyridin-4-one
MOLECULAR FORMULA: C27H41NO5
MOLECULAR WEIGHT: 459.61814
SMILES: CC1=C(NC(=C(C1=O)OC)OC)C/C=C(\C)/C/C=C/C(=C/C(C)C(C2(C(O2)C(C)C)C)O)/C
Structure:
CAS RN: 58947-82-3
CAS Name: 2-[(2E,5E,7E)-10-(2,3-dimethyl-2-oxiranyl)-10-methoxy-3,7,9-trimethyldeca-2,5,7-trienyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
OPENEYE Name: 2-[(2E,5E,7E)-10-(2,3-dimethyloxiran-2-yl)-10-methoxy-3,7,9-trimethyl-deca-2,5,7-trienyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
IUPAC Name: 2-[(2E,5E,7E)-10-(2,3-dimethyloxiran-2-yl)-10-methoxy-3,7,9-trimethyldeca-2,5,7-trienyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
SYSTEMATIC NAME: 2-[(2E,5E,7E)-10-(2,3-dimethyloxiran-2-yl)-10-methoxy-3,7,9-trimethyl-deca-2,5,7-trienyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
MOLECULAR FORMULA: C26H39NO5
MOLECULAR WEIGHT: 445.59156
SMILES: CC1C(O1)(C)C(C(C)/C=C(\C)/C=C/C/C(=C/CC2=C(C(=O)C(=C(N2)OC)OC)C)/C)OC
Structure:
CAS RN: 58947-81-2
CAS Name: 2-[(2E,5E,7E)-10-(2,3-dimethyl-2-oxiranyl)-10-hydroxy-3,5,7,9-tetramethyldeca-2,5,7-trienyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
OPENEYE Name: 2-[(2E,5E,7E)-10-(2,3-dimethyloxiran-2-yl)-10-hydroxy-3,5,7,9-tetramethyl-deca-2,5,7-trienyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
IUPAC Name: 2-[(2E,5E,7E)-10-(2,3-dimethyloxiran-2-yl)-10-hydroxy-3,5,7,9-tetramethyldeca-2,5,7-trienyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
SYSTEMATIC NAME: 2-[(2E,5E,7E)-10-(2,3-dimethyloxiran-2-yl)-3,5,7,9-tetramethyl-10-oxidanyl-deca-2,5,7-trienyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
MOLECULAR FORMULA: C26H39NO5
MOLECULAR WEIGHT: 445.59156
SMILES: CC1C(O1)(C)C(C(C)/C=C(\C)/C=C(\C)/C/C(=C/CC2=C(C(=O)C(=C(N2)OC)OC)C)/C)O
Structure:
CAS RN: 58947-79-8
CAS Name: 2-[(2E,5E,7E)-10-(2,3-dimethyl-2-oxiranyl)-10-hydroxy-3,7,9-trimethyldeca-2,5,7-trienyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
OPENEYE Name: 2-[(2E,5E,7E)-10-(2,3-dimethyloxiran-2-yl)-10-hydroxy-3,7,9-trimethyl-deca-2,5,7-trienyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
IUPAC Name: 2-[(2E,5E,7E)-10-(2,3-dimethyloxiran-2-yl)-10-hydroxy-3,7,9-trimethyldeca-2,5,7-trienyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
SYSTEMATIC NAME: 2-[(2E,5E,7E)-10-(2,3-dimethyloxiran-2-yl)-3,7,9-trimethyl-10-oxidanyl-deca-2,5,7-trienyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
MOLECULAR FORMULA: C25H37NO5
MOLECULAR WEIGHT: 431.56498
SMILES: CC1C(O1)(C)C(C(C)/C=C(\C)/C=C/C/C(=C/CC2=C(C(=O)C(=C(N2)OC)OC)C)/C)O
Structure:
CAS RN: 58880-64-1
CAS Name: (E)-2-butenedioic acid; 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)-2-propanol
OPENEYE Name: fumaric acid; 1-(1H-indol-4-yloxy)-3-(isopropylamino)propan-2-ol
IUPAC Name: (E)-but-2-enedioic acid; 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
MOLECULAR FORMULA: C18H24N2O6
MOLECULAR WEIGHT: 364.39296
SMILES: CC(C)NCC(COC1=CC=CC2=C1C=CN2)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 58785-76-5
CAS Name: 4-acetyl-2-[(1E,3E)-5-hydroxyhexa-1,3-dienyl]-5-methoxy-2-methyl-3-furanone
OPENEYE Name: 4-acetyl-2-[(1E,3E)-5-hydroxyhexa-1,3-dienyl]-5-methoxy-2-methyl-furan-3-one
IUPAC Name: 4-acetyl-2-[(1E,3E)-5-hydroxyhexa-1,3-dienyl]-5-methoxy-2-methylfuran-3-one
SYSTEMATIC NAME: 4-ethanoyl-5-methoxy-2-methyl-2-[(1E,3E)-5-oxidanylhexa-1,3-dienyl]furan-3-one
MOLECULAR FORMULA: C14H18O5
MOLECULAR WEIGHT: 266.28972
SMILES: CC(/C=C/C=C/C1(C(=O)C(=C(O1)OC)C(=O)C)C)O
Structure:
CAS RN: 58286-53-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H28O12
MOLECULAR WEIGHT: 508.47192
SMILES: C1=CO[C@H]([C@H]2[C@@H]1[C@@H]([C@H]3[C@@]2(O3)COC(=O)/C=C/C4=CC=C(C=C4)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
Structure:
CAS RN: 57103-70-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C31H41ClN2O9
MOLECULAR WEIGHT: 621.11824
SMILES: CCC(=O)O[C@H]1CC(=O)N(C2=C(C(=CC(=C2)C/C(=C/C=C/[C@H]([C@]3(C[C@@H]([C@H]([C@H]4[C@]1(O4)C)C)OC(=O)N3)O)OC)/C)OC)Cl)C
Structure:
CAS RN: 57103-69-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H39ClN2O9
MOLECULAR WEIGHT: 607.09166
SMILES: C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)C)C)\C)OC)(NC(=O)O2)O
Structure:
CAS RN: 57094-89-0
CAS Name: (Z)-2-methyl-2-butenoic acid [(1R)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methylpent-3-enyl] ester
OPENEYE Name: [(1R)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] (Z)-2-methylbut-2-enoate
IUPAC Name: [(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] (Z)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(1R)-1-[5,8-bis(oxidanyl)-1,4-bis(oxidanylidene)naphthalen-2-yl]-4-methyl-pent-3-enyl] (Z)-2-methylbut-2-enoate
MOLECULAR FORMULA: C21H22O6
MOLECULAR WEIGHT: 370.39578
SMILES: C/C=C(/C)\C(=O)O[C@H](CC=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O
Structure:
CAS RN: 56198-39-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C31H42O5
MOLECULAR WEIGHT: 494.66218
SMILES: CC1CCC2(CC3CC(O2)C/C=C(/CC(/C=C/C=C(/C4=CC(=C(C=C4C(=O)O3)C)O)\C)C)\C)OC1C
Structure:
CAS RN: 56198-38-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H50O7
MOLECULAR WEIGHT: 558.7459
SMILES: CCC1C(CCC2(O1)CC3CC(O2)C/C=C(\CC(/C=C/C=C(\C4(CC(C(=CC4C(=O)O3)C)OC)O)/CO)C)/C)C
Structure:
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