CAS RN: 97950-37-3
CAS Name: [5-[2,4-dioxo-5-[(E)-3-[[1-oxo-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentyl]amino]prop-1-enyl]-1-pyrimidinyl]-3-hydroxy-2-oxolanyl]methyl dihydrogen phosphate
OPENEYE Name: [5-[2,4-dioxo-5-[(E)-3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]prop-1-enyl]pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
IUPAC Name: [5-[2,4-dioxo-5-[(E)-3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]prop-1-enyl]pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [5-[2,4-bis(oxidanylidene)-5-[(E)-3-[5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]prop-1-enyl]pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C22H32N5O10PS
MOLECULAR WEIGHT: 589.555741
SMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)/C=C/CNC(=O)CCCCC3C4C(CS3)NC(=O)N4)COP(=O)(O)O)O
Structure:
CAS RN: 97937-29-6
CAS Name: (2E,4E)-deca-2,4-dienoic acid [6-(4a,8,12b-trihydroxy-3-methyl-1,7,12-trioxo-4H-benzo[a]anthracen-9-yl)-4-hydroxy-2-methyl-3-oxanyl] ester
OPENEYE Name: [6-(4a,8,12b-trihydroxy-3-methyl-1,7,12-trioxo-4H-benzo[a]anthracen-9-yl)-4-hydroxy-2-methyl-tetrahydropyran-3-yl] (2E,4E)-deca-2,4-dienoate
IUPAC Name: [6-(4a,8,12b-trihydroxy-3-methyl-1,7,12-trioxo-4H-benzo[a]anthracen-9-yl)-4-hydroxy-2-methyloxan-3-yl] (2E,4E)-deca-2,4-dienoate
SYSTEMATIC NAME: [2-methyl-6-[3-methyl-4a,8,12b-tris(oxidanyl)-1,7,12-tris(oxidanylidene)-4H-benzo[a]anthracen-9-yl]-4-oxidanyl-oxan-3-yl] (2E,4E)-deca-2,4-dienoate
MOLECULAR FORMULA: C35H38O10
MOLECULAR WEIGHT: 618.67022
SMILES: CCCCC/C=C/C=C/C(=O)OC1C(OC(CC1O)C2=C(C3=C(C=C2)C(=O)C4=C(C3=O)C=CC5(C4(C(=O)C=C(C5)C)O)O)O)C
Structure:
CAS RN: 97931-76-5
CAS Name: 1-ethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(1-ethyl-4-pyridin-1-iumyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]pyridin-1-ium dibromide
OPENEYE Name: 1-ethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(1-ethylpyridin-1-ium-4-yl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]pyridin-1-ium dibromide
IUPAC Name: 1-ethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(1-ethylpyridin-1-ium-4-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]pyridin-1-ium dibromide
SYSTEMATIC NAME: 1-ethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(1-ethylpyridin-1-ium-4-yl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]pyridin-1-ium dibromide
MOLECULAR FORMULA: C36H44Br2N2
MOLECULAR WEIGHT: 664.55596
SMILES: CC[N+]1=CC=C(C=C1)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=CC=[N+](C=C2)CC)\C)\C)/C)/C.[Br-].[Br-]
Structure:
CAS RN: 97903-37-2
CAS Name: (1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-4-hydroxybutan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-3-hydroxy-1-methyl-propyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-4-hydroxybutan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-4-oxidanylbutan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C23H36O3
MOLECULAR WEIGHT: 360.53014
SMILES: C[C@H](CCO)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](C[C@@H](C3=C)O)O)C
Structure:
CAS RN: 98358-64-6
CAS Name: (5E)-5-[(2,6-dichlorophenyl)methylidene]-N,N,6-trimethyl-4H-pyridazin-3-amine
OPENEYE Name: (5E)-5-[(2,6-dichlorophenyl)methylene]-N,N,6-trimethyl-4H-pyridazin-3-amine
IUPAC Name: (5E)-5-[(2,6-dichlorophenyl)methylidene]-N,N,6-trimethyl-4H-pyridazin-3-amine
SYSTEMATIC NAME: (5E)-5-[[2,6-bis(chloranyl)phenyl]methylidene]-N,N,6-trimethyl-4H-pyridazin-3-amine
MOLECULAR FORMULA: C14H15Cl2N3
MOLECULAR WEIGHT: 296.195
SMILES: CC\1=NN=C(C/C1=C\C2=C(C=CC=C2Cl)Cl)N(C)C
Structure:
CAS RN: 98353-78-7
CAS Name: (3Z)-3-[(2Z)-2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanethiol
OPENEYE Name: (3Z)-3-[(2Z)-2-[1-(1,5-dimethylhexyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanethiol
IUPAC Name: (3Z)-3-[(2Z)-2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1-thiol
SYSTEMATIC NAME: (3Z)-3-[(2Z)-2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1-thiol
MOLECULAR FORMULA: C27H44S
MOLECULAR WEIGHT: 400.70326
SMILES: CC(C)CCCC(C)C1CCC\2C1(CCC/C2=C/C=C\3/CC(CCC3=C)S)C
Structure:
CAS RN: 97782-02-0
CAS Name: (E)-9-octadecenoic acid [3-[2-(2,5-dioxo-1-pyrrolidinyl)ethoxy-hydroxyphosphoryl]oxy-2-[(E)-1-oxooctadec-9-enoxy]propyl] ester
OPENEYE Name: [3-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy-hydroxy-phosphoryl]oxy-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate
IUPAC Name: [3-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy-hydroxyphosphoryl]oxy-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate
SYSTEMATIC NAME: [3-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethoxy-oxidanyl-phosphoryl]oxy-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate
MOLECULAR FORMULA: C45H80NO10P
MOLECULAR WEIGHT: 826.091161
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COP(=O)(O)OCCN1C(=O)CCC1=O)OC(=O)CCCCCCC/C=C/CCCCCCCC
Structure:
CAS RN: 98352-22-8
CAS Name: 2-[(5R)-5-ethyl-2-hydroxy-5-[(1E)-2-methylbuta-1,3-dienyl]-4-oxo-3-thiophenyl]acetamide
OPENEYE Name: 2-[(5R)-5-ethyl-2-hydroxy-5-[(1E)-2-methylbuta-1,3-dienyl]-4-oxo-3-thienyl]acetamide
IUPAC Name: 2-[(5R)-5-ethyl-2-hydroxy-5-[(1E)-2-methylbuta-1,3-dienyl]-4-oxothiophen-3-yl]acetamide
SYSTEMATIC NAME: 2-[(5R)-5-ethyl-5-[(1E)-2-methylbuta-1,3-dienyl]-2-oxidanyl-4-oxidanylidene-thiophen-3-yl]ethanamide
MOLECULAR FORMULA: C13H17NO3S
MOLECULAR WEIGHT: 267.34398
SMILES: CC[C@]1(C(=O)C(=C(S1)O)CC(=O)N)/C=C(\C)/C=C
Structure:
CAS RN: 145919-42-2
CAS Name: 2,2-dimethyl-3-[(3E,7E,11E,15E,19Z)-3,7,12-trimethyl-16-prop-2-enylheneicosa-3,7,11,15,19-pentaenyl]oxirane
OPENEYE Name: 3-[(3E,7E,11E,15E,19Z)-16-allyl-3,7,12-trimethyl-henicosa-3,7,11,15,19-pentaenyl]-2,2-dimethyl-oxirane
IUPAC Name: 2,2-dimethyl-3-[(3E,7E,11E,15E,19Z)-3,7,12-trimethyl-16-prop-2-enylhenicosa-3,7,11,15,19-pentaenyl]oxirane
SYSTEMATIC NAME: 2,2-dimethyl-3-[(3E,7E,11E,15E,19Z)-3,7,12-trimethyl-16-prop-2-enyl-henicosa-3,7,11,15,19-pentaenyl]oxirane
MOLECULAR FORMULA: C31H50O
MOLECULAR WEIGHT: 438.7281
SMILES: C/C=C\CC/C(=C\CC/C(=C/CC/C=C(\C)/CC/C=C(\C)/CCC1C(O1)(C)C)/C)/CC=C
Structure:
CAS RN: 145904-50-3
CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid [3-(3,4-dihydroxyphenyl)-2-oxopropyl] ester
OPENEYE Name: [3-(3,4-dihydroxyphenyl)-2-oxo-propyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
IUPAC Name: [3-(3,4-dihydroxyphenyl)-2-oxopropyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [3-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-propyl] (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate
MOLECULAR FORMULA: C18H16O7
MOLECULAR WEIGHT: 344.31544
SMILES: C1=CC(=C(C=C1CC(=O)COC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O
Structure:
CAS RN: 145624-22-2
CAS Name: (8R,9S,10R,13S,14S,17R)-17-hydroxy-17-[(E)-2-iodoethenyl]-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: (8R,9S,10R,13S,14S,17R)-17-hydroxy-17-[(E)-2-iodovinyl]-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC Name: (8R,9S,10R,13S,14S,17R)-17-hydroxy-17-[(E)-2-iodoethenyl]-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8R,9S,10R,13S,14S,17R)-17-[(E)-2-iodanylethenyl]-10,13-dimethyl-17-oxidanyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H27IO2
MOLECULAR WEIGHT: 438.34235
SMILES: C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(/C=C/I)O)C
Structure:
CAS RN: 145459-22-9
CAS Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,8aS)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-8a-methyl-1,2,3,3a,4,6,7,8-octahydroazulen-5-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,8aS)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-8a-methyl-1,2,3,3a,4,6,7,8-octahydroazulen-5-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,8aS)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-8a-methyl-1,2,3,3a,4,6,7,8-octahydroazulen-5-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,8aS)-8a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3a,4,6,7,8-octahydroazulen-5-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C28H46O3
MOLECULAR WEIGHT: 430.66304
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/C2)C
Structure:
CAS RN: 145401-37-2
CAS Name: 2-hydroxy-5-methoxy-3-[(E)-3-methyl-5-(2,6,6-trimethyl-1-cyclohex-2-enyl)pent-2-enyl]cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-hydroxy-5-methoxy-3-[(E)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-2-enyl]-1,4-benzoquinone
IUPAC Name: 2-hydroxy-5-methoxy-3-[(E)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-2-enyl]cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 5-methoxy-3-[(E)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-2-enyl]-2-oxidanyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C22H30O4
MOLECULAR WEIGHT: 358.4712
SMILES: CC1=CCCC(C1CC/C(=C/CC2=C(C(=O)C=C(C2=O)OC)O)/C)(C)C
Structure:
CAS RN: 145178-66-1
CAS Name: (6Z,9Z,11R,12Z)-11-hydroxyoctadeca-6,9,12-trienoic acid
OPENEYE Name: (6Z,9Z,11R,12Z)-11-hydroxyoctadeca-6,9,12-trienoic acid
IUPAC Name: (6Z,9Z,11R,12Z)-11-hydroxyoctadeca-6,9,12-trienoic acid
SYSTEMATIC NAME: (6Z,9Z,11R,12Z)-11-oxidanyloctadeca-6,9,12-trienoic acid
MOLECULAR FORMULA: C18H30O3
MOLECULAR WEIGHT: 294.429
SMILES: CCCCC/C=C\[C@H](/C=C\C/C=C\CCCCC(=O)O)O
Structure:
CAS RN: 144730-92-7
CAS Name: 7-[3-hydroxy-2-[(E)-3-hydroxy-3-methylnon-1-enyl]-5-oxocyclopentyl]heptanoic acid
OPENEYE Name: 7-[3-hydroxy-2-[(E)-3-hydroxy-3-methyl-non-1-enyl]-5-oxo-cyclopentyl]heptanoic acid
IUPAC Name: 7-[3-hydroxy-2-[(E)-3-hydroxy-3-methylnon-1-enyl]-5-oxocyclopentyl]heptanoic acid
SYSTEMATIC NAME: 7-[2-[(E)-3-methyl-3-oxidanyl-non-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoic acid
MOLECULAR FORMULA: C22H38O5
MOLECULAR WEIGHT: 382.53412
SMILES: CCCCCCC(C)(/C=C/C1C(CC(=O)C1CCCCCCC(=O)O)O)O
Structure:
CAS RN: 144450-35-1
CAS Name: carbamic acid [6-[[2-[4-[(4E,6E,14E,16Z)-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(E)-prop-1-enyl]-4-oxanyl]oxy]-4-hydroxy-2-methyl-3-oxanyl] ester
OPENEYE Name: [6-[2-[3-[(4E,6E,14E,16Z)-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-2-hydroxy-1-methyl-butyl]-2-hydroxy-5-methyl-6-[(E)-prop-1-enyl]tetrahydropyran-4-yl]oxy-4-hydroxy-2-methyl-tetrahydropyran-3-
IUPAC Name: [6-[2-[4-[(4E,6E,14E,16Z)-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-4-yl]oxy-4-hydroxy-2-methyloxan-3-yl] carbamate
SYSTEMATIC NAME: [6-[2-[4-[(4E,6E,14E,16Z)-3,17-dimethoxy-7,9,13,15-tetramethyl-10,12-bis(oxidanyl)-18-oxidanylidene-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-oxidanyl-pentan-2-yl]-5-methyl-2-oxidanyl-6-[(E)-prop-1-enyl]oxan-4-yl]oxy-2-methyl-4-oxidanyl-oxan-3-yl] carb
MOLECULAR FORMULA: C44H71NO14
MOLECULAR WEIGHT: 838.03284
SMILES: C/C=C/C1C(C(CC(O1)(C(C)C(C(C)C2C(/C=C/C=C(/CC(C(CC(C(/C=C(/C=C(/C(=O)O2)\OC)\C)C)O)O)C)\C)OC)O)O)OC3CC(C(C(O3)C)OC(=O)N)O)C
Structure:
CAS RN: 144450-34-0
CAS Name: (3E,5Z,13Z,15Z)-18-[4-[4-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyl-2-oxanyl]oxy]-2-hydroxy-5-methyl-6-[(E)-prop-1-enyl]-2-oxanyl]-3-hydroxypentan-2-yl]-8,10-dihydroxy-3,17-dimethoxy-5,7,9,11,13-pentamethyl-1-oxacyclooctadeca-3,5,13,15-tetraen-2-one
OPENEYE Name: (3E,5Z,13Z,15Z)-18-[3-[4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-hydroxy-5-methyl-6-[(E)-prop-1-enyl]tetrahydropyran-2-yl]-2-hydroxy-1-methyl-butyl]-8,10-dihydroxy-3,17-dimethoxy-5,7,9,11,13-pentamethyl-1-oxacyclooctadeca-3,5,13,1
IUPAC Name: (3E,5Z,13Z,15Z)-18-[4-[4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-3-hydroxypentan-2-yl]-8,10-dihydroxy-3,17-dimethoxy-5,7,9,11,13-pentamethyl-1-oxacyclooctadeca-3,5,13,15-tetraen-2-one
SYSTEMATIC NAME: (3E,5Z,13Z,15Z)-3,17-dimethoxy-5,7,9,11,13-pentamethyl-18-[4-[5-methyl-4-[(2S,4R,5S,6R)-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-6-[(E)-prop-1-enyl]oxan-2-yl]-3-oxidanyl-pentan-2-yl]-8,10-bis(oxidanyl)-1-oxacyclooctadeca-3,5,13,15-tetraen-2-one
MOLECULAR FORMULA: C44H72O13
MOLECULAR WEIGHT: 809.03468
SMILES: C/C=C/C1C(C(CC(O1)(C(C)C(C(C)C2C(/C=C\C=C(/CC(C(C(C(C(/C=C(\C=C(/C(=O)O2)\OC)/C)C)O)C)O)C)\C)OC)O)O)O[C@@H]3C[C@H]([C@@H]([C@H](O3)C)O)O)C
Structure:
CAS RN: 144398-02-7
CAS Name: 5-[(E)-3-hydroxybut-1-enyl]-4-[4-(methoxymethyl)anilino]-2-oxolanone
OPENEYE Name: 5-[(E)-3-hydroxybut-1-enyl]-4-[4-(methoxymethyl)anilino]tetrahydrofuran-2-one
IUPAC Name: 5-[(E)-3-hydroxybut-1-enyl]-4-[4-(methoxymethyl)anilino]oxolan-2-one
SYSTEMATIC NAME: 4-[[4-(methoxymethyl)phenyl]amino]-5-[(E)-3-oxidanylbut-1-enyl]oxolan-2-one
MOLECULAR FORMULA: C16H21NO4
MOLECULAR WEIGHT: 291.34224
SMILES: CC(/C=C/C1C(CC(=O)O1)NC2=CC=C(C=C2)COC)O
Structure:
CAS RN: 144397-99-9
CAS Name: 4-[[2-[(E)-3-hydroxybut-1-enyl]-5-oxo-3-oxolanyl]amino]benzoic acid
OPENEYE Name: 4-[[2-[(E)-3-hydroxybut-1-enyl]-5-oxo-tetrahydrofuran-3-yl]amino]benzoic acid
IUPAC Name: 4-[[2-[(E)-3-hydroxybut-1-enyl]-5-oxooxolan-3-yl]amino]benzoic acid
SYSTEMATIC NAME: 4-[[2-[(E)-3-oxidanylbut-1-enyl]-5-oxidanylidene-oxolan-3-yl]amino]benzoic acid
MOLECULAR FORMULA: C15H17NO5
MOLECULAR WEIGHT: 291.29918
SMILES: CC(/C=C/C1C(CC(=O)O1)NC2=CC=C(C=C2)C(=O)O)O
Structure:
CAS RN: 144376-63-6
CAS Name: (2E,6E,10E,14E)-30-[5-(2-hydroxypropan-2-yl)-2-methyl-2-oxolanyl]-3,7,11,15,19,23,27-heptamethyltriaconta-2,6,10,14-tetraene-1,19,23,27-tetrol
OPENEYE Name: (2E,6E,10E,14E)-30-[5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydrofuran-2-yl]-3,7,11,15,19,23,27-heptamethyl-triaconta-2,6,10,14-tetraene-1,19,23,27-tetrol
IUPAC Name: (2E,6E,10E,14E)-30-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3,7,11,15,19,23,27-heptamethyltriaconta-2,6,10,14-tetraene-1,19,23,27-tetrol
SYSTEMATIC NAME: (2E,6E,10E,14E)-3,7,11,15,19,23,27-heptamethyl-30-[2-methyl-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]triaconta-2,6,10,14-tetraene-1,19,23,27-tetrol
MOLECULAR FORMULA: C45H82O6
MOLECULAR WEIGHT: 719.12898
SMILES: C/C(=C\CC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)/CCCC(C)(CCCC(C)(CCCC(C)(CCCC1(CCC(O1)C(C)(C)O)C)O)O)O
Structure:
CAS RN: 144376-62-5
CAS Name: (2E,6E,10E,14E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,34-pentaene-1,19,23,27,31-pentol
OPENEYE Name: (2E,6E,10E,14E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,34-pentaene-1,19,23,27,31-pentol
IUPAC Name: (2E,6E,10E,14E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,34-pentaene-1,19,23,27,31-pentol
SYSTEMATIC NAME: (2E,6E,10E,14E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,34-pentaene-1,19,23,27,31-pentol
MOLECULAR FORMULA: C45H82O5
MOLECULAR WEIGHT: 703.12958
SMILES: CC(=CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)/C)O)O)O)O)C
Structure:
CAS RN: 144300-56-1
CAS Name: (5Z)-5-[(2Z)-2-[1-[(E)-6,7-dihydroxy-6-methylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (5Z)-5-[(2Z)-2-[1-[(E)-5,6-dihydroxy-1,5-dimethyl-hex-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (5Z)-5-[(2Z)-2-[1-[(E)-6,7-dihydroxy-6-methylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (5Z)-5-[(2Z)-2-[7a-methyl-1-[(E)-6-methyl-6,7-bis(oxidanyl)hept-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C27H42O4
MOLECULAR WEIGHT: 430.61998
SMILES: CC(/C=C/CC(C)(CO)O)C1CCC\2C1(CCC/C2=C/C=C\3/CC(CC(C3=C)O)O)C
Structure:
CAS RN: 97730-98-8
CAS Name: (E)-6-(2,5-dihydroxy-3-methylphenyl)-1-[(1R,6S,7R)-2,4-dihydroxy-6,7,9,9-tetramethyl-7-bicyclo[4.2.1]nona-2,4-dienyl]-4-methyl-4-hexen-2-one
OPENEYE Name: (E)-6-(2,5-dihydroxy-3-methyl-phenyl)-1-[(1R,6S,7R)-2,4-dihydroxy-6,7,9,9-tetramethyl-7-bicyclo[4.2.1]nona-2,4-dienyl]-4-methyl-hex-4-en-2-one
IUPAC Name: (E)-6-(2,5-dihydroxy-3-methylphenyl)-1-[(1R,6S,7R)-2,4-dihydroxy-6,7,9,9-tetramethyl-7-bicyclo[4.2.1]nona-2,4-dienyl]-4-methylhex-4-en-2-one
SYSTEMATIC NAME: (E)-4-methyl-6-[3-methyl-2,5-bis(oxidanyl)phenyl]-1-[(1R,6S,7R)-6,7,9,9-tetramethyl-2,4-bis(oxidanyl)-7-bicyclo[4.2.1]nona-2,4-dienyl]hex-4-en-2-one
MOLECULAR FORMULA: C27H36O5
MOLECULAR WEIGHT: 440.57174
SMILES: CC1=CC(=CC(=C1O)C/C=C(\C)/CC(=O)C[C@]2(C[C@H]3C(=CC(=C[C@@]2(C3(C)C)C)O)O)C)O
Structure:
CAS RN: 97707-52-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C44H60O12
MOLECULAR WEIGHT: 780.94
SMILES: CC1CCC2C(C1OC3C(C(=O)C(C(O3)C)O)O)C=C(C(/C/4=C/5\C(C(C\C5=C(\C(=O)OC(=O)C24)/C)O)C)/C=C/C=C/C=C(\C)/CC(C)CC(C(C)C(=O)O)O)C
Structure:
CAS RN: 97631-49-7
CAS Name: N-[3-butan-2-yloxy-2-(1-pyrrolidinyl)propyl]-N-(phenylmethyl)-1,3-benzodioxol-5-amine; (E)-2-butenedioic acid
OPENEYE Name: N-benzyl-N-(2-pyrrolidin-1-yl-3-sec-butoxy-propyl)-1,3-benzodioxol-5-amine; fumaric acid
IUPAC Name: N-benzyl-N-(3-butan-2-yloxy-2-pyrrolidin-1-ylpropyl)-1,3-benzodioxol-5-amine; (E)-but-2-enedioic acid
SYSTEMATIC NAME: N-(3-butan-2-yloxy-2-pyrrolidin-1-yl-propyl)-N-(phenylmethyl)-1,3-benzodioxol-5-amine; (E)-but-2-enedioic acid
MOLECULAR FORMULA: C29H38N2O7
MOLECULAR WEIGHT: 526.62122
SMILES: CCC(C)OCC(CN(CC1=CC=CC=C1)C2=CC3=C(C=C2)OCO3)N4CCCC4.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 97613-69-9
CAS Name: 5-[(E)-9-ethoxy-5,9-dimethyldec-3-enoxy]-1,3-benzodioxole
OPENEYE Name: 5-[(E)-9-ethoxy-5,9-dimethyl-dec-3-enoxy]-1,3-benzodioxole
IUPAC Name: 5-[(E)-9-ethoxy-5,9-dimethyldec-3-enoxy]-1,3-benzodioxole
SYSTEMATIC NAME: 5-[(E)-9-ethoxy-5,9-dimethyl-dec-3-enoxy]-1,3-benzodioxole
MOLECULAR FORMULA: C21H32O4
MOLECULAR WEIGHT: 348.47638
SMILES: CCOC(C)(C)CCCC(C)/C=C/CCOC1=CC2=C(C=C1)OCO2
Structure:
CAS RN: 97581-08-3
CAS Name: (Z)-2-methyl-2-butenoic acid (2-formyl-7-methoxy-6-methyl-5,8-dioxo-1H-isoquinolin-1-yl)methyl ester
OPENEYE Name: (2-formyl-7-methoxy-6-methyl-5,8-dioxo-1H-isoquinolin-1-yl)methyl (Z)-2-methylbut-2-enoate
IUPAC Name: (2-formyl-7-methoxy-6-methyl-5,8-dioxo-1H-isoquinolin-1-yl)methyl (Z)-2-methylbut-2-enoate
SYSTEMATIC NAME: [2-methanoyl-7-methoxy-6-methyl-5,8-bis(oxidanylidene)-1H-isoquinolin-1-yl]methyl (Z)-2-methylbut-2-enoate
MOLECULAR FORMULA: C18H19NO6
MOLECULAR WEIGHT: 345.34656
SMILES: C/C=C(/C)\C(=O)OCC1C2=C(C=CN1C=O)C(=O)C(=C(C2=O)OC)C
Structure:
CAS RN: 143651-44-9
CAS Name: (3Z)-2-oxo-3-(phenylmethylene)-4H-1,4-benzoxazine-5-carboxylic acid
OPENEYE Name: (3Z)-3-benzylidene-2-oxo-4H-1,4-benzoxazine-5-carboxylic acid
IUPAC Name: (3Z)-3-benzylidene-2-oxo-4H-1,4-benzoxazine-5-carboxylic acid
SYSTEMATIC NAME: (3Z)-2-oxidanylidene-3-(phenylmethylidene)-4H-1,4-benzoxazine-5-carboxylic acid
MOLECULAR FORMULA: C16H11NO4
MOLECULAR WEIGHT: 281.26284
SMILES: C1=CC=C(C=C1)/C=C\2/C(=O)OC3=CC=CC(=C3N2)C(=O)O
Structure:
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