CAS RN: 4572-09-2
CAS Name: octadecanoic acid [2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
OPENEYE Name: [2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] octadecanoate
IUPAC Name: [2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] octadecanoate
SYSTEMATIC NAME: [2-[(8S,9S,10R,11S,13S,14S,17S)-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] octadecanoate
MOLECULAR FORMULA: C39H64O5
MOLECULAR WEIGHT: 612.92246
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C
Structure:
CAS RN: 4535-09-5
CAS Name: 6-(1-pyrenyl)hexanoic acid [(3S,8S,9S,10R,13R,14S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,8S,9S,10R,13R,14S)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 6-pyren-1-ylhexanoate
IUPAC Name: [(3S,8S,9S,10R,13R,14S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 6-pyren-1-ylhexanoate
SYSTEMATIC NAME: [(3S,8S,9S,10R,13R,14S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 6-pyren-1-ylhexanoate
MOLECULAR FORMULA: C49H64O2
MOLECULAR WEIGHT: 685.03126
SMILES: C[C@H](CCCC(C)C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCCCCC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)C)C
Structure:
CAS RN: 96881-39-9
CAS Name: 4,6,7-trimethyl-1H-imidazo[1,2-a]purin-9-one
OPENEYE Name: 4,6,7-trimethyl-1H-imidazo[1,2-a]purin-9-one
IUPAC Name: 4,6,7-trimethyl-1H-imidazo[1,2-a]purin-9-one
SYSTEMATIC NAME: 4,6,7-trimethyl-1H-imidazo[1,2-a]purin-9-one
MOLECULAR FORMULA: C10H11N5O
MOLECULAR WEIGHT: 217.22724
SMILES: CC1=C(N2C(=O)C3=C(N=CN3)N(C2=N1)C)C
Structure:
CAS RN: 96866-39-6
CAS Name: 2-amino-2-methyl-3,4-dihydronaphthalen-1-one
OPENEYE Name: 2-amino-2-methyl-tetralin-1-one
IUPAC Name: 2-amino-2-methyl-3,4-dihydronaphthalen-1-one
SYSTEMATIC NAME: 2-azanyl-2-methyl-3,4-dihydronaphthalen-1-one
MOLECULAR FORMULA: C11H13NO
MOLECULAR WEIGHT: 175.22702
SMILES: CC1(CCC2=CC=CC=C2C1=O)N
Structure:
CAS RN: 4463-02-9
CAS Name: 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetic acid
OPENEYE Name: 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetic acid
IUPAC Name: 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetic acid
SYSTEMATIC NAME: 2-[4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]phenoxy]ethanoic acid
MOLECULAR FORMULA: C19H22N4O5
MOLECULAR WEIGHT: 386.40178
SMILES: CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)O
Structure:
CAS RN: 4235-07-8
CAS Name: (6R,10bR)-6-(2-chlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline hydrobromide
OPENEYE Name: (6R,10bR)-6-(2-chlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline hydrobromide
IUPAC Name: (6R,10bR)-6-(2-chlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline hydrobromide
SYSTEMATIC NAME: (6R,10bR)-6-(2-chlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline hydrobromide
MOLECULAR FORMULA: C18H19BrClN
MOLECULAR WEIGHT: 364.70716
SMILES: C1C[C@@H]2C3=CC=CC=C3[C@@H](CN2C1)C4=CC=CC=C4Cl.Br
Structure:
CAS RN: 4172-04-7
CAS Name: (2R,3S)-2-(hydroxymethyl)-2,3-dihydrofuran-3-ol
OPENEYE Name: (2R,3S)-2-(hydroxymethyl)-2,3-dihydrofuran-3-ol
IUPAC Name: (2R,3S)-2-(hydroxymethyl)-2,3-dihydrofuran-3-ol
SYSTEMATIC NAME: (2R,3S)-2-(hydroxymethyl)-2,3-dihydrofuran-3-ol
MOLECULAR FORMULA: C5H8O3
MOLECULAR WEIGHT: 116.11522
SMILES: C1=CO[C@@H]([C@H]1O)CO
Structure:
CAS RN: 167305-00-2
CAS Name: (7S,10aS)-4-[[(2S)-2-mercapto-1-oxo-3-phenylpropyl]amino]-5-oxo-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]thiazepine-7-carboxylic acid
OPENEYE Name: (7S,10aS)-5-oxo-4-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]thiazepine-7-carboxylic acid
IUPAC Name: (7S,10aS)-5-oxo-4-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]thiazepine-7-carboxylic acid
SYSTEMATIC NAME: (7S,10aS)-5-oxidanylidene-4-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]thiazepine-7-carboxylic acid
MOLECULAR FORMULA: C19H24N2O4S2
MOLECULAR WEIGHT: 408.53486
SMILES: C1C[C@H](N2[C@H](C1)SCCC(C2=O)NC(=O)[C@H](CC3=CC=CC=C3)S)C(=O)O
Structure:
CAS RN: 159317-63-2
CAS Name: (7S,10aS)-4-[[(2S)-2-mercapto-1-oxo-3-phenylpropyl]amino]-5-oxo-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]thiazepine-7-carboxylic acid
OPENEYE Name: (7S,10aS)-5-oxo-4-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]thiazepine-7-carboxylic acid
IUPAC Name: (7S,10aS)-5-oxo-4-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]thiazepine-7-carboxylic acid
SYSTEMATIC NAME: (7S,10aS)-5-oxidanylidene-4-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]thiazepine-7-carboxylic acid
MOLECULAR FORMULA: C19H24N2O4S2
MOLECULAR WEIGHT: 408.53486
SMILES: C1C[C@H](N2[C@H](C1)SCCC(C2=O)NC(=O)[C@H](CC3=CC=CC=C3)S)C(=O)O
Structure:
CAS RN: 96705-22-5
CAS Name: (9R,10R)-10-[[(2S,4S,5S,6S)-4-(dimethylamino)-5-[[(2S,5S,6S)-5-[[(2S,5S,6S)-5-hydroxy-6-methyl-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
OPENEYE Name: (9R,10R)-10-[(2S,4S,5S,6S)-4-(dimethylamino)-5-[(2S,5S,6S)-5-[(2S,5S,6S)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
IUPAC Name: (9R,10R)-10-[(2S,4S,5S,6S)-4-(dimethylamino)-5-[(2S,5S,6S)-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
SYSTEMATIC NAME: (9R,10R)-10-[(2S,4S,5S,6S)-4-(dimethylamino)-6-methyl-5-[(2S,5S,6S)-6-methyl-5-[(2S,5S,6S)-6-methyl-5-oxidanyl-oxan-2-yl]oxy-oxan-2-yl]oxy-oxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrakis(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione
MOLECULAR FORMULA: C40H53NO13
MOLECULAR WEIGHT: 755.84772
SMILES: CC[C@]1(CCC2=C(C3=C(C(=C2[C@H]1O[C@H]4C[C@@H]([C@@H]([C@@H](O4)C)O[C@H]5CC[C@@H]([C@@H](O5)C)O[C@H]6CC[C@@H]([C@@H](O6)C)O)N(C)C)O)C(=O)C7=C(C3=O)C(=CC=C7)O)O)O
Structure:
CAS RN: 96702-03-3
CAS Name: (6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
OPENEYE Name: (6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
IUPAC Name: (6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
SYSTEMATIC NAME: (6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
MOLECULAR FORMULA: C6H10N2O2
MOLECULAR WEIGHT: 142.1558
SMILES: CC1=NCC[C@H](N1)C(=O)O
Structure:
CAS RN: 96697-28-8
CAS Name: 1-(2-chloroethyl)-3-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-2-(hydroxymethyl)-3-oxolanyl]-1-nitrosourea
OPENEYE Name: 1-(2-chloroethyl)-3-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]-1-nitroso-urea
IUPAC Name: 1-(2-chloroethyl)-3-[(2S,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]-1-nitrosourea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-[(2S,3S,5R)-5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl]-1-nitroso-urea
MOLECULAR FORMULA: C12H15ClFN5O6
MOLECULAR WEIGHT: 379.728803
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)CO)NC(=O)N(CCCl)N=O
Structure:
CAS RN: 3852-11-7
CAS Name: (3S,4R)-4-hydroxy-8-methoxy-3-methyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
OPENEYE Name: (3S,4R)-4-hydroxy-8-methoxy-3-methyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
IUPAC Name: (3S,4R)-4-hydroxy-8-methoxy-3-methyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
SYSTEMATIC NAME: (3S,4R)-8-methoxy-3-methyl-4-oxidanyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
MOLECULAR FORMULA: C20H16O5
MOLECULAR WEIGHT: 336.33804
SMILES: C[C@H]1CC(=O)C2=C([C@@H]1O)C=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)OC
Structure:
CAS RN: 3839-09-6
CAS Name: (3S,4R)-4,8-dihydroxy-3-methyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
OPENEYE Name: (3S,4R)-4,8-dihydroxy-3-methyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
IUPAC Name: (3S,4R)-4,8-dihydroxy-3-methyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
SYSTEMATIC NAME: (3S,4R)-3-methyl-4,8-bis(oxidanyl)-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
MOLECULAR FORMULA: C19H14O5
MOLECULAR WEIGHT: 322.31146
SMILES: C[C@H]1CC(=O)C2=C([C@@H]1O)C=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)O
Structure:
CAS RN: 3817-05-8
CAS Name: 2-[[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-2-(1-hydroxy-2-oxo-1-cyclopent-3-enyl)acetic acid
OPENEYE Name: 2-[(2-amino-5-guanidino-pentanoyl)amino]-2-(1-hydroxy-2-oxo-cyclopent-3-en-1-yl)acetic acid
IUPAC Name: 2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-2-(1-hydroxy-2-oxocyclopent-3-en-1-yl)acetic acid
SYSTEMATIC NAME: 2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-2-(1-oxidanyl-2-oxidanylidene-cyclopent-3-en-1-yl)ethanoic acid
MOLECULAR FORMULA: C13H21N5O5
MOLECULAR WEIGHT: 327.33634
SMILES: C1C=CC(=O)C1(C(C(=O)O)NC(=O)C(CCCN=C(N)N)N)O
Structure:
CAS RN: 3691-12-1
CAS Name: 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoic acid [(2S,2aR,4aR,7aR,7bS)-3-formyl-2a-hydroxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl] ester
OPENEYE Name: [(2S,2aR,4aR,7aR,7bS)-3-formyl-2a-hydroxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl] 3-chloro-6-hydroxy-4-methoxy-2-methyl-benzoate
IUPAC Name: [(2S,2aR,4aR,7aR,7bS)-3-formyl-2a-hydroxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl] 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate
SYSTEMATIC NAME: [(2S,2aR,4aR,7aR,7bS)-3-methanoyl-6,6,7b-trimethyl-2a-oxidanyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl] 3-chloranyl-4-methoxy-2-methyl-6-oxidanyl-benzoate
MOLECULAR FORMULA: C24H29ClO6
MOLECULAR WEIGHT: 448.93646
SMILES: CC1=C(C(=CC(=C1Cl)OC)O)C(=O)O[C@H]2C[C@@]3([C@]2(C(=C[C@@H]4[C@H]3CC(C4)(C)C)C=O)O)C
Structure:
CAS RN: 3622-04-6
CAS Name: 9-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-[(1-hydroxy-4-imino-3-quinolinyl)amino]-3H-purin-6-one
OPENEYE Name: 9-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-[(1-hydroxy-4-imino-3-quinolyl)amino]-3H-purin-6-one
IUPAC Name: 9-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-[(1-hydroxy-4-iminoquinolin-3-yl)amino]-3H-purin-6-one
SYSTEMATIC NAME: 2-[(4-azanylidene-1-oxidanyl-quinolin-3-yl)amino]-9-[(4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one
MOLECULAR FORMULA: C19H19N7O5
MOLECULAR WEIGHT: 425.39806
SMILES: C1[C@@H]([C@H](OC1N2C=NC3=C2NC(=NC3=O)NC4=CN(C5=CC=CC=C5C4=N)O)CO)O
Structure:
CAS RN: 100482-87-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H24N2O4
MOLECULAR WEIGHT: 344.40486
SMILES: CCC1C2C3COC(C2O)C4(CC3N1)C5=CC=CC=C5N(C4=O)OC
Structure:
CAS RN: 3578-07-2
CAS Name: (3aS,7aS)-3a,4,5,6,7,7a-hexahydroisoxazolo[5,4-c]pyridin-3-one
OPENEYE Name: (3aS,7aS)-3a,4,5,6,7,7a-hexahydroisoxazolo[5,4-c]pyridin-3-one
IUPAC Name: (3aS,7aS)-3a,4,5,6,7,7a-hexahydro-[1,2]oxazolo[5,4-c]pyridin-3-one
SYSTEMATIC NAME: (3aS,7aS)-3a,4,5,6,7,7a-hexahydro-[1,2]oxazolo[5,4-c]pyridin-3-one
MOLECULAR FORMULA: C6H10N2O2
MOLECULAR WEIGHT: 142.1558
SMILES: C1CNC[C@@H]2[C@H]1C(=O)NO2
Structure:
CAS RN: 96623-01-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H14NaO8S+
MOLECULAR WEIGHT: 437.37513
SMILES: C[C@@]12CCC(=O)C3=COC(=C31)C(=O)C4=CC5=C(C=CC(=C5C=C24)OS(=O)(=O)O)O.[Na+]
Structure:
CAS RN: 3405-12-7
CAS Name: [[(2R,3S,4S)-5-(4a-hydroxy-7,8-dimethyl-2,4-dioxo-5H-benzo[g]pteridin-10-yl)-2,3,4-trihydroxypentoxy]-hydroxyphosphoryl] [(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl hydrogen phosphate
OPENEYE Name: [[(2R,3S,4S)-5-(4a-hydroxy-7,8-dimethyl-2,4-dioxo-5H-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] [(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
IUPAC Name: [[(2R,3S,4S)-5-(4a-hydroxy-7,8-dimethyl-2,4-dioxo-5H-benzo[g]pteridin-10-yl)-2,3,4-trihydroxypentoxy]-hydroxyphosphoryl] [(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-[7,8-dimethyl-4a-oxidanyl-2,4-bis(oxidanylidene)-5H-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
MOLECULAR FORMULA: C27H35N9O16P2
MOLECULAR WEIGHT: 803.565022
SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3(N2)O)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H](C(O4)N5C=NC6=C5N=CN=C6N)O)O)O)O)O
Structure:
CAS RN: 3338-05-4
CAS Name: 8-[2-(diethylamino)ethyl-ethylamino]-8-oxooctanoic acid [2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
OPENEYE Name: [2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] 8-[2-(diethylamino)ethyl-ethyl-amino]-8-oxo-octanoate
IUPAC Name: [2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 8-[2-(diethylamino)ethyl-ethylamino]-8-oxooctanoate
SYSTEMATIC NAME: [2-oxidanylidene-2-[(6S,8S,9S,10R,11S,13S,14S,17R)-6,10,13-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethyl] 8-[2-(diethylamino)ethyl-ethyl-amino]-8-oxidanylidene-octanoate
MOLECULAR FORMULA: C38H60N2O7
MOLECULAR WEIGHT: 656.8922
SMILES: CCN(CC)CCN(CC)C(=O)CCCCCCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)C)O)C)O
Structure:
CAS RN: 3333-07-1
CAS Name: N-methyl-N-(2-nitrophenyl)azohydroxylamine
OPENEYE Name: N-methyl-N-(2-nitrophenyl)azo-hydroxylamine
IUPAC Name: N-methyl-N-[(2-nitrophenyl)diazenyl]hydroxylamine
SYSTEMATIC NAME: N-methyl-N-[(2-nitrophenyl)diazenyl]hydroxylamine
MOLECULAR FORMULA: C7H8N4O3
MOLECULAR WEIGHT: 196.16342
SMILES: CN(N=NC1=CC=CC=C1[N+](=O)[O-])O
Structure:
CAS RN: 3283-05-4
CAS Name: (9S)-7-[[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-4,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-8,10-dihydro-7H-tetracene-5,12-dione
OPENEYE Name: (9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4,9,11-trihydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione
IUPAC Name: (9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-4,9,11-trihydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione
SYSTEMATIC NAME: (9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione
MOLECULAR FORMULA: C26H27NO10
MOLECULAR WEIGHT: 513.49328
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)OC2C[C@@](CC3=C2C=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)O)(C(=O)CO)O)N)O
Structure:
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