CAS RN: 130523-93-2
CAS Name: (9Z,13Z,15E)-14,18-dihydroxy-12-oxooctadeca-9,13,15-trienoic acid
OPENEYE Name: (9Z,13Z,15E)-14,18-dihydroxy-12-oxo-octadeca-9,13,15-trienoic acid
IUPAC Name: (9Z,13Z,15E)-14,18-dihydroxy-12-oxooctadeca-9,13,15-trienoic acid
SYSTEMATIC NAME: (9Z,13Z,15E)-14,18-bis(oxidanyl)-12-oxidanylidene-octadeca-9,13,15-trienoic acid
MOLECULAR FORMULA: C18H28O5
MOLECULAR WEIGHT: 324.41192
SMILES: C(CCC/C=C\CC(=O)/C=C(/C=C/CCO)\O)CCCC(=O)O
Structure:
CAS RN: 130007-49-7
CAS Name: (E)-5-ethoxy-3-methyl-5-oxo-2-pentenoic acid
OPENEYE Name: (E)-5-ethoxy-3-methyl-5-oxo-pent-2-enoic acid
IUPAC Name: (E)-5-ethoxy-3-methyl-5-oxopent-2-enoic acid
SYSTEMATIC NAME: (E)-5-ethoxy-3-methyl-5-oxidanylidene-pent-2-enoic acid
MOLECULAR FORMULA: C8H12O4
MOLECULAR WEIGHT: 172.17848
SMILES: CCOC(=O)C/C(=C/C(=O)O)/C
Structure:
CAS RN: 129966-45-6
CAS Name: 2-[(8S)-8-acetyloxy-12-hydroxy-2-[(2S,3R)-2-methyl-3-[(Z)-prop-1-enyl]-2-oxiranyl]-4,11-dioxo-9,10-dihydro-8H-naphtho[2,3-h][1]benzopyran-5-yl]acetic acid
OPENEYE Name: 2-[(8S)-8-acetoxy-12-hydroxy-2-[(2S,3R)-2-methyl-3-[(Z)-prop-1-enyl]oxiran-2-yl]-4,11-dioxo-9,10-dihydro-8H-naphtho[2,3-h]chromen-5-yl]acetic acid
IUPAC Name: 2-[(8S)-8-acetyloxy-12-hydroxy-2-[(2S,3R)-2-methyl-3-[(Z)-prop-1-enyl]oxiran-2-yl]-4,11-dioxo-9,10-dihydro-8H-naphtho[2,3-h]chromen-5-yl]acetic acid
SYSTEMATIC NAME: 2-[(8S)-8-acetyloxy-2-[(2S,3R)-2-methyl-3-[(Z)-prop-1-enyl]oxiran-2-yl]-12-oxidanyl-4,11-bis(oxidanylidene)-9,10-dihydro-8H-naphtho[2,3-h]chromen-5-yl]ethanoic acid
MOLECULAR FORMULA: C27H24O9
MOLECULAR WEIGHT: 492.47406
SMILES: C/C=C\[C@@H]1[C@@](O1)(C)C2=CC(=O)C3=C(O2)C4=C(C5=C(C=C4C=C3CC(=O)O)[C@H](CCC5=O)OC(=O)C)O
Structure:
CAS RN: 130007-48-6
CAS Name: (Z)-4-[1-(2-methyl-1-oxoprop-2-enoxy)butan-2-yloxy]-4-oxo-2-butenoic acid
OPENEYE Name: (Z)-4-[1-(2-methylprop-2-enoyloxymethyl)propoxy]-4-oxo-but-2-enoic acid
IUPAC Name: (Z)-4-[1-(2-methylprop-2-enoyloxy)butan-2-yloxy]-4-oxobut-2-enoic acid
SYSTEMATIC NAME: (Z)-4-[1-(2-methylprop-2-enoyloxy)butan-2-yloxy]-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C12H16O6
MOLECULAR WEIGHT: 256.25184
SMILES: CCC(COC(=O)C(=C)C)OC(=O)/C=C\C(=O)O
Structure:
CAS RN: 129423-20-7
CAS Name: (E)-3-(5-nitro-2-furanyl)-N-(2-oxiranylmethyl)-2-propenamide
OPENEYE Name: (E)-3-(5-nitro-2-furyl)-N-(oxiran-2-ylmethyl)prop-2-enamide
IUPAC Name: (E)-3-(5-nitrofuran-2-yl)-N-(oxiran-2-ylmethyl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-(5-nitrofuran-2-yl)-N-(oxiran-2-ylmethyl)prop-2-enamide
MOLECULAR FORMULA: C10H10N2O5
MOLECULAR WEIGHT: 238.1968
SMILES: C1C(O1)CNC(=O)/C=C/C2=CC=C(O2)[N+](=O)[O-]
Structure:
CAS RN: 129228-55-3
CAS Name: (Z)-7-[(2R,3S,4S)-4-hydroxy-2-[(1E,5Z)-3-hydroxyocta-1,5-dienyl]-6-oxo-3-oxanyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(2R,3S,4S)-4-hydroxy-2-[(1E,5Z)-3-hydroxyocta-1,5-dienyl]-6-oxo-tetrahydropyran-3-yl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(2R,3S,4S)-4-hydroxy-2-[(1E,5Z)-3-hydroxyocta-1,5-dienyl]-6-oxooxan-3-yl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(2R,3S,4S)-4-oxidanyl-6-oxidanylidene-2-[(1E,5Z)-3-oxidanylocta-1,5-dienyl]oxan-3-yl]hept-5-enoic acid
MOLECULAR FORMULA: C20H30O6
MOLECULAR WEIGHT: 366.4486
SMILES: CC/C=C\CC(/C=C/[C@@H]1[C@H]([C@H](CC(=O)O1)O)C/C=C\CCCC(=O)O)O
Structure:
CAS RN: 95480-84-5
CAS Name: (2Z,4S)-2-[(2E)-2-[(3R,3aS,7aS)-3a-methyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,6,7,7a-hexahydro-1H-inden-5-ylidene]ethylidene]-4-hydroxy-1-cyclohexanone
OPENEYE Name: (2Z,4S)-2-[(2E)-2-[(3R,3aS,7aS)-3-[(1R)-1,5-dimethylhexyl]-3a-methyl-2,3,4,6,7,7a-hexahydro-1H-inden-5-ylidene]ethylidene]-4-hydroxy-cyclohexanone
IUPAC Name: (2Z,4S)-2-[(2E)-2-[(3R,3aS,7aS)-3a-methyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,6,7,7a-hexahydro-1H-inden-5-ylidene]ethylidene]-4-hydroxycyclohexan-1-one
SYSTEMATIC NAME: (2Z,4S)-2-[(2E)-2-[(3R,3aS,7aS)-3a-methyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,6,7,7a-hexahydro-1H-inden-5-ylidene]ethylidene]-4-oxidanyl-cyclohexan-1-one
MOLECULAR FORMULA: C26H42O2
MOLECULAR WEIGHT: 386.61048
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(C/C(=C/C=C\3/C[C@H](CCC3=O)O)/CC2)C
Structure:
CAS RN: 95416-26-5
CAS Name: (E)-9-octadecenoic acid [3-anilino-2-[(E)-1-oxooctadec-9-enoxy]propyl] ester
OPENEYE Name: [3-anilino-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate
IUPAC Name: [3-anilino-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate
SYSTEMATIC NAME: [2-[(E)-octadec-9-enoyl]oxy-3-phenylazanyl-propyl] (E)-octadec-9-enoate
MOLECULAR FORMULA: C45H77NO4
MOLECULAR WEIGHT: 696.09718
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CNC1=CC=CC=C1)OC(=O)CCCCCCC/C=C/CCCCCCCC
Structure:
CAS RN: 95387-01-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H35N3O7
MOLECULAR WEIGHT: 585.6469
SMILES: CN1CC[C@]23[C@@H]4[C@]5(C=C[C@]2([C@H]1CC6=C3C(=C(C=C6)O)O4)C[C@H]5NC(=O)CC7=CC=C(C=C7)NC(=O)/C=C/C(=O)OC)OC
Structure:
CAS RN: 95360-35-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H48BrN3O9
MOLECULAR WEIGHT: 818.74922
SMILES: CC1/C=C/C(=C(/C(=O)NC2=C3C(=C4C(=C2)C=CC5=C4C(=O)C(O5)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)N=C6N3C=CC=C6Br)\C)/C
Structure:
CAS RN: 95313-04-5
CAS Name: 4-amino-5-[(E)-2-bromoethenyl]-1-[(3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-pyrimidinone
OPENEYE Name: 4-amino-5-[(E)-2-bromovinyl]-1-[(3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one
IUPAC Name: 4-amino-5-[(E)-2-bromoethenyl]-1-[(3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one
SYSTEMATIC NAME: 4-azanyl-5-[(E)-2-bromanylethenyl]-1-[(3S,4R)-3-(hydroxymethyl)-4-oxidanyl-cyclopentyl]pyrimidin-2-one
MOLECULAR FORMULA: C12H16BrN3O3
MOLECULAR WEIGHT: 330.17774
SMILES: C1[C@H]([C@@H](CC1N2C=C(C(=NC2=O)N)/C=C/Br)O)CO
Structure:
CAS RN: 95310-63-7
CAS Name: (6Z,10E)-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-6,10,14-trienoic acid
OPENEYE Name: (6Z,10E)-7-(hydroxymethyl)-3,11,15-trimethyl-hexadeca-6,10,14-trienoic acid
IUPAC Name: (6Z,10E)-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-6,10,14-trienoic acid
SYSTEMATIC NAME: (6Z,10E)-7-(hydroxymethyl)-3,11,15-trimethyl-hexadeca-6,10,14-trienoic acid
MOLECULAR FORMULA: C20H34O3
MOLECULAR WEIGHT: 322.48216
SMILES: CC(CC/C=C(/CC/C=C(\C)/CCC=C(C)C)\CO)CC(=O)O
Structure:
CAS RN: 95310-55-7
CAS Name: (2E,6E,10Z,14E)-10-(hydroxymethyl)-2,6,14-trimethylhexadeca-2,6,10,14-tetraenedioic acid
OPENEYE Name: (2E,6E,10Z,14E)-10-(hydroxymethyl)-2,6,14-trimethyl-hexadeca-2,6,10,14-tetraenedioic acid
IUPAC Name: (2E,6E,10Z,14E)-10-(hydroxymethyl)-2,6,14-trimethylhexadeca-2,6,10,14-tetraenedioic acid
SYSTEMATIC NAME: (2E,6E,10Z,14E)-10-(hydroxymethyl)-2,6,14-trimethyl-hexadeca-2,6,10,14-tetraenedioic acid
MOLECULAR FORMULA: C20H30O5
MOLECULAR WEIGHT: 350.4492
SMILES: C/C(=C\CC/C(=C/CC/C(=C/C(=O)O)/C)/CO)/CC/C=C(\C)/C(=O)O
Structure:
CAS RN: 95270-41-0
CAS Name: (1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aS)-1-[(E,2R,5R)-5-hydroxy-6-methylhept-3-en-2-yl]-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aS)-1-[(E,1R,4R)-4-hydroxy-1,5-dimethyl-hex-2-enyl]-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aS)-1-[(E,2R,5R)-5-hydroxy-6-methylhept-3-en-2-yl]-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aS)-7a-methyl-1-[(E,2R,5R)-6-methyl-5-oxidanyl-hept-3-en-2-yl]-2,3,3a,4,6,7-hexahydro-1H-inden-5-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C27H42O3
MOLECULAR WEIGHT: 414.62058
SMILES: C[C@H](/C=C/[C@@H](C(C)C)O)[C@H]1CC[C@@H]2[C@@]1(CC/C(=C\C=C\3/C[C@H](C[C@@H](C3=C)O)O)/C2)C
Structure:
CAS RN: 95217-75-7
CAS Name: 4-[[(E)-13-bromotridec-12-enyl]telluro]butanoic acid
OPENEYE Name: 4-[(E)-13-bromotridec-12-enyl]tellanylbutanoic acid
IUPAC Name: 4-[(E)-13-bromotridec-12-enyl]tellanylbutanoic acid
SYSTEMATIC NAME: 4-[(E)-13-bromanyltridec-12-enyl]tellanylbutanoic acid
MOLECULAR FORMULA: C17H31BrO2Te
MOLECULAR WEIGHT: 474.93084
SMILES: C(CCCCC/C=C/Br)CCCCC[Te]CCCC(=O)O
Structure:
CAS RN: 95211-90-8
CAS Name: (E)-2-butenedioic acid; N',N'-dimethyl-N-(2,2,6,6-tetramethyl-1-oxido-4-piperidinyl)ethane-1,2-diamine
OPENEYE Name: N',N'-dimethyl-N-(2,2,6,6-tetramethyl-1-oxido-4-piperidyl)ethane-1,2-diamine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; N',N'-dimethyl-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethane-1,2-diamine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N',N'-dimethyl-N-(2,2,6,6-tetramethyl-1-oxidanidyl-piperidin-4-yl)ethane-1,2-diamine
MOLECULAR FORMULA: C17H32N3O5-
MOLECULAR WEIGHT: 358.45308
SMILES: CC1(CC(CC(N1[O-])(C)C)NCCN(C)C)C.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 128940-64-7
CAS Name: (E)-3-hydroxy-6-octenoic acid
OPENEYE Name: (E)-3-hydroxyoct-6-enoic acid
IUPAC Name: (E)-3-hydroxyoct-6-enoic acid
SYSTEMATIC NAME: (E)-3-oxidanyloct-6-enoic acid
MOLECULAR FORMULA: C8H14O3
MOLECULAR WEIGHT: 158.19496
SMILES: C/C=C/CCC(CC(=O)O)O
Structure:
CAS RN: 95152-88-8
CAS Name: [(4E,6E,12Z,14Z,16E)-7,19-dimethyl-20-methylene-2-[(3E)-3-methylhexa-3,5-dienyl]-22-oxo-1-oxacyclodocosa-4,6,12,14,16-pentaen-8-yl] dihydrogen phosphate
OPENEYE Name: [(4E,6E,12Z,14Z,16E)-7,19-dimethyl-20-methylene-2-[(3E)-3-methylhexa-3,5-dienyl]-22-oxo-1-oxacyclodocosa-4,6,12,14,16-pentaen-8-yl] dihydrogen phosphate
IUPAC Name: [(4E,6E,12Z,14Z,16E)-7,19-dimethyl-2-[(3E)-3-methylhexa-3,5-dienyl]-20-methylidene-22-oxo-1-oxacyclodocosa-4,6,12,14,16-pentaen-8-yl] dihydrogen phosphate
SYSTEMATIC NAME: [(4E,6E,12Z,14Z,16E)-7,19-dimethyl-2-[(3E)-3-methylhexa-3,5-dienyl]-20-methylidene-22-oxidanylidene-1-oxacyclodocosa-4,6,12,14,16-pentaen-8-yl] dihydrogen phosphate
MOLECULAR FORMULA: C31H45O6P
MOLECULAR WEIGHT: 544.659161
SMILES: CC1C/C=C/C=C\C=C/CCCC(/C(=C/C=C/CC(OC(=O)CC1=C)CC/C(=C/C=C)/C)/C)OP(=O)(O)O
Structure:
CAS RN: 95043-82-6
CAS Name: (E)-2-diazonio-1-[(2E,6E)-9-[(2R)-3,3-dimethyl-2-oxiranyl]-3,7-dimethylnona-2,6-dienoxy]ethenolate
OPENEYE Name: (E)-2-diazonio-1-[(2E,6E)-9-[(2R)-3,3-dimethyloxiran-2-yl]-3,7-dimethyl-nona-2,6-dienoxy]ethenolate
IUPAC Name: (E)-2-diazonio-1-[(2E,6E)-9-[(2R)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoxy]ethenolate
SYSTEMATIC NAME: (E)-2-diazonio-1-[(2E,6E)-9-[(2R)-3,3-dimethyloxiran-2-yl]-3,7-dimethyl-nona-2,6-dienoxy]ethenolate
MOLECULAR FORMULA: C17H26N2O3
MOLECULAR WEIGHT: 306.39994
SMILES: C/C(=C\CC/C(=C/CO/C(=C/[N+]#N)/[O-])/C)/CC[C@@H]1C(O1)(C)C
Structure:
CAS RN: 95036-97-8
CAS Name: (2E,4E,6E,8E)-9-(2,6-dichloro-4-methoxy-3-methylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
OPENEYE Name: (2E,4E,6E,8E)-9-(2,6-dichloro-4-methoxy-3-methyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid
IUPAC Name: (2E,4E,6E,8E)-9-(2,6-dichloro-4-methoxy-3-methylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
SYSTEMATIC NAME: (2E,4E,6E,8E)-9-[2,6-bis(chloranyl)-4-methoxy-3-methyl-phenyl]-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid
MOLECULAR FORMULA: C19H20Cl2O3
MOLECULAR WEIGHT: 367.2663
SMILES: CC1=C(C(=C(C=C1OC)Cl)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C)Cl
Structure:
CAS RN: 94805-71-7
CAS Name: 5-[(Z)-5-(3-furanyl)-2-methylpent-2-enyl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 5-[(Z)-5-(3-furyl)-2-methyl-pent-2-enyl]-2,3-dimethoxy-1,4-benzoquinone
IUPAC Name: 5-[(Z)-5-(furan-3-yl)-2-methylpent-2-enyl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 5-[(Z)-5-(furan-3-yl)-2-methyl-pent-2-enyl]-2,3-dimethoxy-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C18H20O5
MOLECULAR WEIGHT: 316.3484
SMILES: C/C(=C/CCC1=COC=C1)/CC2=CC(=O)C(=C(C2=O)OC)OC
Structure:
CAS RN: 66120-71-6
CAS Name: (4E,6E,8E,10E,12E,14Z,16Z)-3-[(4-amino-3,5-dihydroxy-6-methyl-2-oxanyl)oxy]-19-[7-(4-aminophenyl)-5-hydroxy-7-oxoheptan-2-yl]-23,27,29,31,33,35,37-heptahydroxy-18-methyl-21,25-dioxo-20,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-car
OPENEYE Name: (4E,6E,8E,10E,12E,14Z,16Z)-3-(4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-19-[6-(4-aminophenyl)-4-hydroxy-1-methyl-6-oxo-hexyl]-23,27,29,31,33,35,37-heptahydroxy-18-methyl-21,25-dioxo-20,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-h
IUPAC Name: (4E,6E,8E,10E,12E,14Z,16Z)-3-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-19-[7-(4-aminophenyl)-5-hydroxy-7-oxoheptan-2-yl]-23,27,29,31,33,35,37-heptahydroxy-18-methyl-21,25-dioxo-20,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carbo
SYSTEMATIC NAME: (4E,6E,8E,10E,12E,14Z,16Z)-19-[7-(4-aminophenyl)-5-oxidanyl-7-oxidanylidene-heptan-2-yl]-3-[4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-18-methyl-23,27,29,31,33,35,37-heptakis(oxidanyl)-21,25-bis(oxidanylidene)-20,39-dioxabicyclo[33.3.1]nonatriaconta
MOLECULAR FORMULA: C58H84N2O19
MOLECULAR WEIGHT: 1113.28956
SMILES: CC1/C=C\C=C/C=C/C=C/C=C/C=C/C=C/C(CC2C(C(CC(O2)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC1C(C)CCC(CC(=O)C3=CC=C(C=C3)N)O)O)O)O)O)O)O)O)C(=O)O)OC4C(C(C(C(O4)C)O)N)O
Structure:
CAS RN: 66106-91-0
CAS Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-[(E)-octadec-9-enoxy]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
OPENEYE Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-3-[(E)-octadec-9-enoxy]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-[(E)-octadec-9-enoxy]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
SYSTEMATIC NAME: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-[(E)-octadec-9-enoxy]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
MOLECULAR FORMULA: C45H80O
MOLECULAR WEIGHT: 637.1161
SMILES: CCCCCCCC/C=C/CCCCCCCCO[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C
Structure:
CAS RN: 65914-84-3
CAS Name: (5Z,8Z,11Z,14Z)-eicosa-5,8,11,14-tetraenoic acid [(2S)-1-hydroxy-3-(1-oxooctadecoxy)propan-2-yl] ester
OPENEYE Name: [(1S)-1-(hydroxymethyl)-2-octadecanoyloxy-ethyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
IUPAC Name: [(2S)-1-hydroxy-3-octadecanoyloxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
SYSTEMATIC NAME: [(2S)-1-octadecanoyloxy-3-oxidanyl-propan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
MOLECULAR FORMULA: C41H72O5
MOLECULAR WEIGHT: 645.00738
SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Structure:
CAS RN: 65878-49-1
CAS Name: (1R,3S,4R,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylcyclohexane-1,3-diol
OPENEYE Name: (1R,3S,4R,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methyl-cyclohexane-1,3-diol
IUPAC Name: (1R,3S,4R,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylcyclohexane-1,3-diol
SYSTEMATIC NAME: (1R,3S,4R,5E)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methyl-cyclohexane-1,3-diol
MOLECULAR FORMULA: C27H46O3
MOLECULAR WEIGHT: 418.65234
SMILES: C[C@H]\1[C@H](C[C@@H](C/C1=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)O)O
Structure:
CAS RN: 65669-71-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H32O4
MOLECULAR WEIGHT: 336.46568
SMILES: C[C@H]1[C@@H]2CC[C@]3(C(O3)CC/C(=C\CC[C@]([C@@H](C2)OC1=O)(C)O)/C)C
Structure:
CAS RN: 65316-65-6
CAS Name: (2E,4E,6E,8E)-9-(4-hydroxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
OPENEYE Name: (2E,4E,6E,8E)-9-(4-hydroxy-2,3,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid
IUPAC Name: (2E,4E,6E,8E)-9-(4-hydroxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
SYSTEMATIC NAME: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,3,6-trimethyl-4-oxidanyl-phenyl)nona-2,4,6,8-tetraenoic acid
MOLECULAR FORMULA: C20H24O3
MOLECULAR WEIGHT: 312.40276
SMILES: CC1=CC(=C(C(=C1/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C)C)C)O
Structure:
CAS RN: 94535-60-1
CAS Name: (E)-3-(4-hydroxyphenyl)-2-propenoic acid [6-[[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-3-yl]oxy]-4-hydroxy-2-(hydroxymethyl)-5-[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]-3-oxanyl] ester
OPENEYE Name: [6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-tetrahydropyran-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
IUPAC Name: [6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]oxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-4-oxidanyl-oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C39H32O15
MOLECULAR WEIGHT: 740.66238
SMILES: C1=CC(=CC=C1/C=C/C(=O)OC2C(OC(C(C2O)OC(=O)/C=C/C3=CC=C(C=C3)O)OC4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)CO)O
Structure:
CAS RN: 20621-49-2
CAS Name: (E)-1-(2,6-dihydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one
OPENEYE Name: (E)-1-(2,6-dihydroxy-4-methoxy-phenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
IUPAC Name: (E)-1-(2,6-dihydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-1-[4-methoxy-2,6-bis(oxidanyl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C17H16O5
MOLECULAR WEIGHT: 300.30594
SMILES: COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2O)OC)O
Structure:
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