CAS RN: 123022-60-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C48H74O14
MOLECULAR WEIGHT: 875.09276
SMILES: CC[C@H](C)[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/C([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H](C([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C
Structure:
CAS RN: 139645-33-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C48H74O14
MOLECULAR WEIGHT: 875.09276
SMILES: CC[C@H](C)[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/C([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H](C([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C
Structure:
CAS RN: 73910-57-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C48H74O14
MOLECULAR WEIGHT: 875.09276
SMILES: CC[C@H](C)[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/C([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H](C([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C
Structure:
CAS RN: 71812-10-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H25N5O4
MOLECULAR WEIGHT: 435.4757
SMILES: CC(C)(C=C)C12CC(C(=O)N\3C1(NC(=O)/C3=C\C4=CN=CN4)N(C5=CC=CC=C25)OC)O
Structure:
CAS RN: 72746-33-9
CAS Name: (6E,10Z,12E,14E,16E,18E,20E,22Z,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,26,30-undecaene
OPENEYE Name: (6E,10Z,12E,14E,16E,18E,20E,22Z,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,26,30-undecaene
IUPAC Name: (6E,10Z,12E,14E,16E,18E,20E,22Z,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,26,30-undecaene
SYSTEMATIC NAME: (6E,10Z,12E,14E,16E,18E,20E,22Z,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,26,30-undecaene
MOLECULAR FORMULA: C40H60
MOLECULAR WEIGHT: 540.9044
SMILES: CC(=CCC/C(=C/CC/C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)\C)/C)/C)C
Structure:
CAS RN: 72514-90-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H28O12
MOLECULAR WEIGHT: 508.47192
SMILES: C1=COC([C@H]2[C@@H]1[C@@H]([C@H]3[C@@]2(O3)CO)OC(=O)/C=C/C4=CC=C(C=C4)O)OC5[C@@H](C([C@@H]([C@H](O5)CO)O)O)O
Structure:
CAS RN: 72283-62-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H25N5O10
MOLECULAR WEIGHT: 507.4507
SMILES: C/C=C(\C)/C(=O)O[C@H]1[C@@H]([C@H](O[C@H]2[C@]1(O[C@H]3[C@@H](C2)O[C@H]([C@@H]3O)N4C=NC5=C4N=CN=C5N)O)C(=O)O)O
Structure:
CAS RN: 73151-59-4
CAS Name: 3,6-dihydroxy-2-[(1E,3E,5E)-undeca-1,3,5-trienyl]benzaldehyde
OPENEYE Name: 3,6-dihydroxy-2-[(1E,3E,5E)-undeca-1,3,5-trienyl]benzaldehyde
IUPAC Name: 3,6-dihydroxy-2-[(1E,3E,5E)-undeca-1,3,5-trienyl]benzaldehyde
SYSTEMATIC NAME: 3,6-bis(oxidanyl)-2-[(1E,3E,5E)-undeca-1,3,5-trienyl]benzaldehyde
MOLECULAR FORMULA: C18H22O3
MOLECULAR WEIGHT: 286.36548
SMILES: CCCCC/C=C/C=C/C=C/C1=C(C=CC(=C1C=O)O)O
Structure:
CAS RN: 73522-57-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H28O7
MOLECULAR WEIGHT: 404.45352
SMILES: C/C=C(/C)\C(=O)O[C@@H]1C[C@@]2([C@H](O2)CC(/C(=C/[C@@H]3[C@@H]1C(=C)C(=O)O3)/C)OC(=O)C)C
Structure:
CAS RN: 73529-66-5
CAS Name: (E)-4-hydroxy-2-undecenal
OPENEYE Name: (E)-4-hydroxyundec-2-enal
IUPAC Name: (E)-4-hydroxyundec-2-enal
SYSTEMATIC NAME: (E)-4-oxidanylundec-2-enal
MOLECULAR FORMULA: C11H20O2
MOLECULAR WEIGHT: 184.2753
SMILES: CCCCCCCC(/C=C/C=O)O
Structure:
CAS RN: 73464-91-2
CAS Name: (2S)-4-[(E)-2-[(2S)-2-carboxy-6-hydroxy-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid hydrochloride
OPENEYE Name: (2S)-4-[(E)-2-[(2S)-2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-indolin-1-yl]vinyl]-2,3-dihydropyridine-2,6-dicarboxylic acid hydrochloride
IUPAC Name: (2S)-4-[(E)-2-[(2S)-2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid hydrochloride
SYSTEMATIC NAME: (2S)-4-[(E)-2-[(2S)-2-carboxy-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid hydrochloride
MOLECULAR FORMULA: C24H27ClN2O13
MOLECULAR WEIGHT: 586.92978
SMILES: C1[C@H](N=C(C=C1/C=C/N2[C@@H](CC3=CC(=C(C=C32)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)O)C(=O)O)C(=O)O.Cl
Structure:
CAS RN: 73413-74-8
CAS Name: (1R,2Z,5Z,9R,10S)-9-methyl-8,11-dioxabicyclo[8.1.0]undeca-2,5-diene-4,7-dione
OPENEYE Name: (1R,2Z,5Z,9R,10S)-9-methyl-8,11-dioxabicyclo[8.1.0]undeca-2,5-diene-4,7-dione
IUPAC Name: (1R,2Z,5Z,9R,10S)-9-methyl-8,11-dioxabicyclo[8.1.0]undeca-2,5-diene-4,7-dione
SYSTEMATIC NAME: (1R,2Z,5Z,9R,10S)-9-methyl-8,11-dioxabicyclo[8.1.0]undeca-2,5-diene-4,7-dione
MOLECULAR FORMULA: C10H10O4
MOLECULAR WEIGHT: 194.184
SMILES: C[C@@H]1[C@H]2[C@H](O2)/C=C\C(=O)/C=C\C(=O)O1
Structure:
CAS RN: 73395-08-1
CAS Name: (E,2R)-2-[(5R)-5-ethenyl-5-methyl-2-oxolanyl]-6-hydroxy-6-methyl-4-hepten-3-one
OPENEYE Name: (E,2R)-6-hydroxy-6-methyl-2-[(5R)-5-methyl-5-vinyl-tetrahydrofuran-2-yl]hept-4-en-3-one
IUPAC Name: (E,2R)-2-[(5R)-5-ethenyl-5-methyloxolan-2-yl]-6-hydroxy-6-methylhept-4-en-3-one
SYSTEMATIC NAME: (E,2R)-2-[(5R)-5-ethenyl-5-methyl-oxolan-2-yl]-6-methyl-6-oxidanyl-hept-4-en-3-one
MOLECULAR FORMULA: C15H24O3
MOLECULAR WEIGHT: 252.34926
SMILES: C[C@H](C1CC[C@](O1)(C)C=C)C(=O)/C=C/C(C)(C)O
Structure:
CAS RN: 73376-35-9
CAS Name: (6Z,8S,8aS)-8-methyl-6-[(2R)-2-methylhexylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol
OPENEYE Name: (6Z,8S,8aS)-8-methyl-6-[(2R)-2-methylhexylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol
IUPAC Name: (6Z,8S,8aS)-8-methyl-6-[(2R)-2-methylhexylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol
SYSTEMATIC NAME: (6Z,8S,8aS)-8-methyl-6-[(2R)-2-methylhexylidene]-1,2,3,5,7,8a-hexahydroindolizin-8-ol
MOLECULAR FORMULA: C16H29NO
MOLECULAR WEIGHT: 251.40756
SMILES: CCCC[C@@H](C)/C=C\1/C[C@]([C@@H]2CCCN2C1)(C)O
Structure:
CAS RN: 73211-35-5
CAS Name: 3,8,9-trihydroxy-6-methoxy-7-[(E)-3-methylbut-1-enyl]-3,4-dihydro-2H-anthracen-1-one
OPENEYE Name: 3,8,9-trihydroxy-6-methoxy-7-[(E)-3-methylbut-1-enyl]-3,4-dihydro-2H-anthracen-1-one
IUPAC Name: 3,8,9-trihydroxy-6-methoxy-7-[(E)-3-methylbut-1-enyl]-3,4-dihydro-2H-anthracen-1-one
SYSTEMATIC NAME: 6-methoxy-7-[(E)-3-methylbut-1-enyl]-3,8,9-tris(oxidanyl)-3,4-dihydro-2H-anthracen-1-one
MOLECULAR FORMULA: C20H22O5
MOLECULAR WEIGHT: 342.38568
SMILES: CC(C)/C=C/C1=C(C2=C(C3=C(CC(CC3=O)O)C=C2C=C1OC)O)O
Structure:
CAS RN: 73179-92-7
CAS Name: (2E,4E,6E,8E)-11-hydroxyeicosa-2,4,6,8-tetraenoic acid
OPENEYE Name: (2E,4E,6E,8E)-11-hydroxyicosa-2,4,6,8-tetraenoic acid
IUPAC Name: (2E,4E,6E,8E)-11-hydroxyicosa-2,4,6,8-tetraenoic acid
SYSTEMATIC NAME: (2E,4E,6E,8E)-11-oxidanylicosa-2,4,6,8-tetraenoic acid
MOLECULAR FORMULA: C20H32O3
MOLECULAR WEIGHT: 320.46628
SMILES: CCCCCCCCCC(C/C=C/C=C/C=C/C=C/C(=O)O)O
Structure:
CAS RN: 73171-27-4
CAS Name: (Z)-2-methyl-2-butenoic acid [(4S,4aS,5R,6R,8aR,9aR)-4-hydroxy-3,4a,5-trimethyl-2-oxo-4,5,6,7,8,8a,9,9a-octahydrobenzo[f]benzofuran-6-yl] ester
OPENEYE Name: [(4S,4aS,5R,6R,8aR,9aR)-4-hydroxy-3,4a,5-trimethyl-2-oxo-4,5,6,7,8,8a,9,9a-octahydrobenzo[f]benzofuran-6-yl] (Z)-2-methylbut-2-enoate
IUPAC Name: [(4S,4aS,5R,6R,8aR,9aR)-4-hydroxy-3,4a,5-trimethyl-2-oxo-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-6-yl] (Z)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(4S,4aS,5R,6R,8aR,9aR)-3,4a,5-trimethyl-4-oxidanyl-2-oxidanylidene-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-6-yl] (Z)-2-methylbut-2-enoate
MOLECULAR FORMULA: C20H28O5
MOLECULAR WEIGHT: 348.43332
SMILES: C/C=C(/C)\C(=O)O[C@@H]1CC[C@@H]2C[C@@H]3C(=C(C(=O)O3)C)[C@H]([C@@]2([C@H]1C)C)O
Structure:
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