CAS RN: 126617-60-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H50O10
MOLECULAR WEIGHT: 714.8404
SMILES: C/C=C(\C)/C(=O)OC1CC(C2(COC3C2C1(C4CC(OC5CC(C(=C5C4(C3OC(=O)/C=C/C6=CC=CC=C6)C)C)C7=COC=C7)O)C)C)OC(=O)C
Structure:
CAS RN: 126596-04-1
CAS Name: N-[(E,2S,5R,7S,11R,13S)-2-amino-4-(3-bromo-4-hydroxyphenyl)-5-formyl-13-hydroxy-7,9,11-trimethyl-3,6-dioxotetradec-9-en-5-yl]-2-imino-N-methylacetamide
OPENEYE Name: N-[(E,1R,3S,7R,9S)-1-[(3S)-3-amino-1-(3-bromo-4-hydroxy-phenyl)-2-oxo-butyl]-1-formyl-9-hydroxy-3,5,7-trimethyl-2-oxo-dec-5-enyl]-2-imino-N-methyl-acetamide
IUPAC Name: N-[(E,2S,5R,7S,11R,13S)-2-amino-4-(3-bromo-4-hydroxyphenyl)-5-formyl-13-hydroxy-7,9,11-trimethyl-3,6-dioxotetradec-9-en-5-yl]-2-imino-N-methylacetamide
SYSTEMATIC NAME: N-[(E,2S,5R,7S,11R,13S)-2-azanyl-4-(3-bromanyl-4-oxidanyl-phenyl)-5-methanoyl-7,9,11-trimethyl-13-oxidanyl-3,6-bis(oxidanylidene)tetradec-9-en-5-yl]-2-azanylidene-N-methyl-ethanamide
MOLECULAR FORMULA: C27H38BrN3O6
MOLECULAR WEIGHT: 580.51112
SMILES: C[C@H](C[C@H](C)O)/C=C(\C)/C[C@H](C)C(=O)[C@](C=O)(C(C1=CC(=C(C=C1)O)Br)C(=O)[C@H](C)N)N(C)C(=O)C=N
Structure:
CAS RN: 126596-03-0
CAS Name: N-[(E,2S,5R,7S,11R,13S)-2-amino-5-formyl-13-hydroxy-4-(4-hydroxy-3-iodophenyl)-7,9,11-trimethyl-3,6-dioxotetradec-9-en-5-yl]-2-imino-N-methylacetamide
OPENEYE Name: N-[(E,1R,3S,7R,9S)-1-[(3S)-3-amino-1-(4-hydroxy-3-iodo-phenyl)-2-oxo-butyl]-1-formyl-9-hydroxy-3,5,7-trimethyl-2-oxo-dec-5-enyl]-2-imino-N-methyl-acetamide
IUPAC Name: N-[(E,2S,5R,7S,11R,13S)-2-amino-5-formyl-13-hydroxy-4-(4-hydroxy-3-iodophenyl)-7,9,11-trimethyl-3,6-dioxotetradec-9-en-5-yl]-2-imino-N-methylacetamide
SYSTEMATIC NAME: 2-azanylidene-N-[(E,2S,5R,7S,11R,13S)-2-azanyl-4-(3-iodanyl-4-oxidanyl-phenyl)-5-methanoyl-7,9,11-trimethyl-13-oxidanyl-3,6-bis(oxidanylidene)tetradec-9-en-5-yl]-N-methyl-ethanamide
MOLECULAR FORMULA: C27H38IN3O6
MOLECULAR WEIGHT: 627.51159
SMILES: C[C@H](C[C@H](C)O)/C=C(\C)/C[C@H](C)C(=O)[C@](C=O)(C(C1=CC(=C(C=C1)O)I)C(=O)[C@H](C)N)N(C)C(=O)C=N
Structure:
CAS RN: 126596-02-9
CAS Name: (2S)-2-amino-N-[(E,2S,5R,11R,13S)-2-amino-4-(3-chloro-4-hydroxyphenyl)-5-formyl-13-hydroxy-9,11-dimethyl-7-methylene-3,6-dioxotetradec-9-en-5-yl]-N-methylpropanamide
OPENEYE Name: (2S)-2-amino-N-[(E,1R,7R,9S)-1-[(3S)-3-amino-1-(3-chloro-4-hydroxy-phenyl)-2-oxo-butyl]-1-formyl-9-hydroxy-5,7-dimethyl-3-methylene-2-oxo-dec-5-enyl]-N-methyl-propanamide
IUPAC Name: (2S)-2-amino-N-[(E,2S,5R,11R,13S)-2-amino-4-(3-chloro-4-hydroxyphenyl)-5-formyl-13-hydroxy-9,11-dimethyl-7-methylidene-3,6-dioxotetradec-9-en-5-yl]-N-methylpropanamide
SYSTEMATIC NAME: (2S)-2-azanyl-N-[(E,2S,5R,11R,13S)-2-azanyl-4-(3-chloranyl-4-oxidanyl-phenyl)-5-methanoyl-9,11-dimethyl-7-methylidene-13-oxidanyl-3,6-bis(oxidanylidene)tetradec-9-en-5-yl]-N-methyl-propanamide
MOLECULAR FORMULA: C28H40ClN3O6
MOLECULAR WEIGHT: 550.0867
SMILES: C[C@H](C[C@H](C)O)/C=C(\C)/CC(=C)C(=O)[C@](C=O)(C(C1=CC(=C(C=C1)O)Cl)C(=O)[C@H](C)N)N(C)C(=O)[C@H](C)N
Structure:
CAS RN: 126589-95-5
CAS Name: (3Z,5S)-5-hydroxy-4-(4-hydroxyphenyl)-9-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-5,6-dihydro-1-benzoxocin-2-one
OPENEYE Name: (3Z,5S)-5-hydroxy-4-(4-hydroxyphenyl)-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5,6-dihydro-1-benzoxocin-2-one
IUPAC Name: (3Z,5S)-5-hydroxy-4-(4-hydroxyphenyl)-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydro-1-benzoxocin-2-one
SYSTEMATIC NAME: (3Z,5S)-9-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-(4-hydroxyphenyl)-5-oxidanyl-5,6-dihydro-1-benzoxocin-2-one
MOLECULAR FORMULA: C23H24O10
MOLECULAR WEIGHT: 460.43066
SMILES: C1[C@@H](/C(=C\C(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)/C4=CC=C(C=C4)O)O
Structure:
CAS RN: 126149-90-4
CAS Name: (9R,10R,13R,17R)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (9R,10R,13R,17R)-17-[(E,1R)-1,5-dimethylhex-2-enyl]-10,13-dimethyl-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (9R,10R,13R,17R)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (9R,10R,13R,17R)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C27H38O
MOLECULAR WEIGHT: 378.59002
SMILES: C[C@H](/C=C/CC(C)C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@@]4([C@H]3CC[C@]12C)C
Structure:
CAS RN: 125826-61-1
CAS Name: (E)-2-butenedioic acid; (6R)-9-methyl-9-azabicyclo[4.2.1]non-4-ene-5-carboxylic acid methyl ester
OPENEYE Name: fumaric acid; methyl (6R)-9-methyl-9-azabicyclo[4.2.1]non-4-ene-5-carboxylate
IUPAC Name: (E)-but-2-enedioic acid; methyl (6R)-9-methyl-9-azabicyclo[4.2.1]non-4-ene-5-carboxylate
SYSTEMATIC NAME: (E)-but-2-enedioic acid; methyl (6R)-9-methyl-9-azabicyclo[4.2.1]non-4-ene-5-carboxylate
MOLECULAR FORMULA: C15H21NO6
MOLECULAR WEIGHT: 311.33034
SMILES: CN1[C@@H]2CCC1CCC=C2C(=O)OC.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 125736-19-8
CAS Name: (1S,6S)-5-[(E)-methoxyiminomethyl]-9-azabicyclo[4.2.1]non-4-ene-9-carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl (1S,6S)-5-[(E)-methoxyiminomethyl]-9-azabicyclo[4.2.1]non-4-ene-9-carboxylate
IUPAC Name: tert-butyl (1S,6S)-5-[(E)-methoxyiminomethyl]-9-azabicyclo[4.2.1]non-4-ene-9-carboxylate
SYSTEMATIC NAME: tert-butyl (1S,6S)-5-[(E)-methoxyiminomethyl]-9-azabicyclo[4.2.1]non-4-ene-9-carboxylate
MOLECULAR FORMULA: C15H24N2O3
MOLECULAR WEIGHT: 280.36266
SMILES: CC(C)(C)OC(=O)N1[C@H]2CCC=C([C@@H]1CC2)/C=N/OC
Structure:
CAS RN: 125736-36-9
CAS Name: 1-[(6R)-9-azabicyclo[4.2.1]non-4-en-5-yl]-2-hydroxyethanone; (E)-2-butenedioic acid
OPENEYE Name: 1-[(6R)-9-azabicyclo[4.2.1]non-4-en-5-yl]-2-hydroxy-ethanone; fumaric acid
IUPAC Name: 1-[(6R)-9-azabicyclo[4.2.1]non-4-en-5-yl]-2-hydroxyethanone; (E)-but-2-enedioic acid
SYSTEMATIC NAME: 1-[(6R)-9-azabicyclo[4.2.1]non-4-en-5-yl]-2-oxidanyl-ethanone; (E)-but-2-enedioic acid
MOLECULAR FORMULA: C14H19NO6
MOLECULAR WEIGHT: 297.30376
SMILES: C1CC2CC[C@@H](N2)C(=C1)C(=O)CO.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 125736-34-7
CAS Name: [(6R)-9-azabicyclo[4.2.1]non-4-en-5-yl]methanol; (E)-2-butenedioic acid
OPENEYE Name: [(6R)-9-azabicyclo[4.2.1]non-4-en-5-yl]methanol; fumaric acid
IUPAC Name: [(6R)-9-azabicyclo[4.2.1]non-4-en-5-yl]methanol; (E)-but-2-enedioic acid
SYSTEMATIC NAME: [(6R)-9-azabicyclo[4.2.1]non-4-en-5-yl]methanol; (E)-but-2-enedioic acid
MOLECULAR FORMULA: C13H19NO5
MOLECULAR WEIGHT: 269.29366
SMILES: C1CC2CC[C@@H](N2)C(=C1)CO.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 125736-30-3
CAS Name: [(6R)-9-azabicyclo[4.2.1]non-4-en-5-yl]-(2-isoxazolidinyl)methanone; (E)-2-butenedioic acid
OPENEYE Name: [(6R)-9-azabicyclo[4.2.1]non-4-en-5-yl]-isoxazolidin-2-yl-methanone; fumaric acid
IUPAC Name: [(6R)-9-azabicyclo[4.2.1]non-4-en-5-yl]-(1,2-oxazolidin-2-yl)methanone; (E)-but-2-enedioic acid
SYSTEMATIC NAME: [(6R)-9-azabicyclo[4.2.1]non-4-en-5-yl]-(1,2-oxazolidin-2-yl)methanone; (E)-but-2-enedioic acid
MOLECULAR FORMULA: C16H22N2O6
MOLECULAR WEIGHT: 338.35568
SMILES: C1CN(OC1)C(=O)C2=CCCC3CC[C@H]2N3.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 125736-28-9
CAS Name: (E)-2-butenedioic acid; (6R)-N-methoxy-9-azabicyclo[4.2.1]non-4-ene-5-carboxamide
OPENEYE Name: fumaric acid; (6R)-N-methoxy-9-azabicyclo[4.2.1]non-4-ene-5-carboxamide
IUPAC Name: (E)-but-2-enedioic acid; (6R)-N-methoxy-9-azabicyclo[4.2.1]non-4-ene-5-carboxamide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; (6R)-N-methoxy-9-azabicyclo[4.2.1]non-4-ene-5-carboxamide
MOLECULAR FORMULA: C14H20N2O6
MOLECULAR WEIGHT: 312.3184
SMILES: CONC(=O)C1=CCCC2CC[C@H]1N2.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 125736-26-7
CAS Name: (E)-2-butenedioic acid; (6R)-N,N-dimethyl-9-azabicyclo[4.2.1]non-4-ene-5-carboxamide
OPENEYE Name: (6R)-N,N-dimethyl-9-azabicyclo[4.2.1]non-4-ene-5-carboxamide; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; (6R)-N,N-dimethyl-9-azabicyclo[4.2.1]non-4-ene-5-carboxamide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; (6R)-N,N-dimethyl-9-azabicyclo[4.2.1]non-4-ene-5-carboxamide
MOLECULAR FORMULA: C15H22N2O5
MOLECULAR WEIGHT: 310.34558
SMILES: CN(C)C(=O)C1=CCCC2CC[C@H]1N2.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 125736-23-4
CAS Name: (6R)-9-azabicyclo[4.2.1]non-4-ene-5-carboxylic acid methyl ester; (E)-2-butenedioic acid
OPENEYE Name: fumaric acid; methyl (6R)-9-azabicyclo[4.2.1]non-4-ene-5-carboxylate
IUPAC Name: (E)-but-2-enedioic acid; methyl (6R)-9-azabicyclo[4.2.1]non-4-ene-5-carboxylate
SYSTEMATIC NAME: (E)-but-2-enedioic acid; methyl (6R)-9-azabicyclo[4.2.1]non-4-ene-5-carboxylate
MOLECULAR FORMULA: C14H19NO6
MOLECULAR WEIGHT: 297.30376
SMILES: COC(=O)C1=CCCC2CC[C@H]1N2.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 125826-60-0
CAS Name: (1S,6S)-5-[(Z)-methoxyiminomethyl]-9-azabicyclo[4.2.1]non-4-ene-9-carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl (1S,6S)-5-[(Z)-methoxyiminomethyl]-9-azabicyclo[4.2.1]non-4-ene-9-carboxylate
IUPAC Name: tert-butyl (1S,6S)-5-[(Z)-methoxyiminomethyl]-9-azabicyclo[4.2.1]non-4-ene-9-carboxylate
SYSTEMATIC NAME: tert-butyl (1S,6S)-5-[(Z)-methoxyiminomethyl]-9-azabicyclo[4.2.1]non-4-ene-9-carboxylate
MOLECULAR FORMULA: C15H24N2O3
MOLECULAR WEIGHT: 280.36266
SMILES: CC(C)(C)OC(=O)N1[C@H]2CCC=C([C@@H]1CC2)/C=N\OC
Structure:
CAS RN: 125587-37-3
CAS Name: (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid (3-nitrophenyl)methyl ester
OPENEYE Name: (3-nitrophenyl)methyl (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxo-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: (3-nitrophenyl)methyl (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: (3-nitrophenyl)methyl (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxidanylidene-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C18H21NO6
MOLECULAR WEIGHT: 347.36244
SMILES: C/C(=C\[C@@H]1[C@H](C1(C)C)C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-])/C(=O)OC
Structure:
CAS RN: 125587-36-2
CAS Name: (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid (3-methoxyphenyl)methyl ester
OPENEYE Name: (3-methoxyphenyl)methyl (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxo-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: (3-methoxyphenyl)methyl (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: (3-methoxyphenyl)methyl (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxidanylidene-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C19H24O5
MOLECULAR WEIGHT: 332.39086
SMILES: C/C(=C\[C@@H]1[C@H](C1(C)C)C(=O)OCC2=CC(=CC=C2)OC)/C(=O)OC
Structure:
CAS RN: 125587-35-1
CAS Name: (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid (3-methylphenyl)methyl ester
OPENEYE Name: m-tolylmethyl (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxo-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: (3-methylphenyl)methyl (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: (3-methylphenyl)methyl (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxidanylidene-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C19H24O4
MOLECULAR WEIGHT: 316.39146
SMILES: CC1=CC(=CC=C1)COC(=O)[C@@H]2[C@H](C2(C)C)/C=C(\C)/C(=O)OC
Structure:
CAS RN: 125564-55-8
CAS Name: (2E)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylhepta-2,6-dienal
OPENEYE Name: (2E)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethyl-cyclopentyl]-2-methyl-hepta-2,6-dienal
IUPAC Name: (2E)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylhepta-2,6-dienal
SYSTEMATIC NAME: (2E)-6-[(1R,2S,3R)-2,3-dimethyl-3-oxidanyl-cyclopentyl]-2-methyl-hepta-2,6-dienal
MOLECULAR FORMULA: C15H24O2
MOLECULAR WEIGHT: 236.34986
SMILES: C[C@H]1[C@@H](CC[C@@]1(C)O)C(=C)CC/C=C(\C)/C=O
Structure:
CAS RN: 125445-63-8
CAS Name: (3R,3aS,4S,6Z,10S,11aR)-4-hydroxy-3,6,10-trimethyl-3,3a,4,5,8,10,11,11a-octahydrocyclodeca[b]furan-2,9-dione
OPENEYE Name: (3R,3aS,4S,6Z,10S,11aR)-4-hydroxy-3,6,10-trimethyl-3,3a,4,5,8,10,11,11a-octahydrocyclodeca[b]furan-2,9-dione
IUPAC Name: (3R,3aS,4S,6Z,10S,11aR)-4-hydroxy-3,6,10-trimethyl-3,3a,4,5,8,10,11,11a-octahydrocyclodeca[b]furan-2,9-dione
SYSTEMATIC NAME: (3R,3aS,4S,6Z,10S,11aR)-3,6,10-trimethyl-4-oxidanyl-3,3a,4,5,8,10,11,11a-octahydrocyclodeca[b]furan-2,9-dione
MOLECULAR FORMULA: C15H22O4
MOLECULAR WEIGHT: 266.33278
SMILES: C[C@H]1C[C@@H]2[C@@H]([C@H](C(=O)O2)C)[C@H](C/C(=C\CC1=O)/C)O
Structure:
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