Sunday, October 2, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 8-hydroxy-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one
CAS Name: 8-hydroxy-7-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-2-one
IUPAC NAME: 8-hydroxy-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
SYSTEMATIC NAME: 7-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-8-oxidanyl-chromen-2-one
MOLECULAR FORMULA: C15H16O9
MOLECULAR WEIGHT: 340.28214
SMILES: C1=CC(=C(C2=C1C=CC(=O)O2)O)O[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)CO)O)O)O
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MOLECULAR FORMULA: C47H51NO14
MOLECULAR WEIGHT: 853.90614
SMILES: CC1=C2[C@@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C
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MOLECULAR FORMULA: C20H24O9
MOLECULAR WEIGHT: 408.39916
SMILES: C[C@@H]1C(=O)O[C@@H]2[C@]1([C@]34C(=O)O[C@H]5C3(C2)C6([C@@H](C5)C(C)(C)C)[C@H](O4)OC(=O)C6O)O
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MOLECULAR FORMULA: C20H24O10
MOLECULAR WEIGHT: 424.39856
SMILES: C[C@@H]1C(=O)O[C@@H]2[C@]1([C@]34C(=O)O[C@H]5C3(C2O)C6([C@@H](C5)C(C)(C)C)[C@H](O4)OC(=O)C6O)O
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MOLECULAR FORMULA: C20H24O11
MOLECULAR WEIGHT: 440.39796
SMILES: C[C@@H]1C(=O)O[C@@H]2[C@]1([C@]34C(=O)O[C@H]5C3(C2O)C6([C@@H]([C@H]5O)C(C)(C)C)[C@H](O4)OC(=O)C6O)O
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MOLECULAR FORMULA: C20H24O10
MOLECULAR WEIGHT: 424.39856
SMILES: C[C@@H]1C(=O)O[C@@H]2[C@]1([C@]34C(=O)O[C@H]5C3(C2)C6([C@@H]([C@H]5O)C(C)(C)C)[C@H](O4)OC(=O)C6O)O
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MOLECULAR FORMULA: C66H76Cl3N9O24
MOLECULAR WEIGHT: 1485.71454
SMILES: C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H](C(C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9[C@H](NC(=O)[C@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)O)O)CC(=O)N)NC(=O)[C@@H](CC(
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MOLECULAR FORMULA: C66H75Cl2N9O24
MOLECULAR WEIGHT: 1449.2536
SMILES: C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H](C(C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9[C@H](NC(=O)[C@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)O)O)CC(=O)N)NC(=O)[C@@H](CC(
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MOLECULAR FORMULA: C22H33NO2
MOLECULAR WEIGHT: 343.50292
SMILES: C[C@@H]1[C@@H]2CC[C@@H]3[C@@](C2)(C1=O)CC[C@H]4[C@@]35CCC[C@]4(CN6[C@H]5OCC6)C
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MOLECULAR FORMULA: C24H33NO4
MOLECULAR WEIGHT: 399.52312
SMILES: CC(=O)O[C@H]1C(=C)[C@H]2CC[C@]13[C@@H](C2)[C@]45CCC[C@]6([C@H]4C[C@@H]3O[C@H]5N7[C@@H]6OCC7)C
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Product OPENEYE NAME: (3S,5R,8R,9S,10R,13R,14S,16S,17R)-14,16-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
CAS Name: (3S,5R,8R,9S,10R,13R,14S,16S,17R)-14,16-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carboxaldehyde
IUPAC NAME: (3S,5R,8R,9S,10R,13R,14S,16S,17R)-14,16-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
SYSTEMATIC NAME: (3S,5R,8R,9S,10R,13R,14S,16S,17R)-13-methyl-3-[(2R,3R,4R,5R,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-14,16-bis(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
MOLECULAR FORMULA: C29H42O10
MOLECULAR WEIGHT: 550.63778
SMILES: C[C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)O)O)C)C=O)O)O)O
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Product OPENEYE NAME: 3-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-11,14-dihydroxy-3-[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
CAS Name: 3-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-11,14-dihydroxy-3-[[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyl-2-oxanyl]oxy]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC NAME: 3-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-11,14-dihydroxy-3-[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-3-[(2R,4S,5R,6R)-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-10,13-dimethyl-11,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C30H46O8
MOLECULAR WEIGHT: 534.68144
SMILES: C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3[C@@H](C[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)OC)O
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