Thursday, January 3, 2013

All Chemical Compounds Information




Product OPENEYE NAME: methyl 2-[1,3,5,8-tetrahydroxy-8-(hydroxymethyl)-4a-methyl-decalin-2-yl]prop-2-enoate
CAS Name: 2-[1,3,5,8-tetrahydroxy-8-(hydroxymethyl)-4a-methyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]-2-propenoic acid methyl ester
IUPAC NAME: methyl 2-[1,3,5,8-tetrahydroxy-8-(hydroxymethyl)-4a-methyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoate
SYSTEMATIC NAME: methyl 2-[8-(hydroxymethyl)-4a-methyl-1,3,5,8-tetrakis(oxidanyl)-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoate
MOLECULAR FORMULA: C16H26O7
MOLECULAR WEIGHT: 330.37344
SMILES: CC12CC(C(C(C1C(CCC2O)(CO)O)O)C(=C)C(=O)OC)O
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Product OPENEYE NAME: 4,6-dihydroxy-5a-methyl-3-methylene-2-oxo-4,5,6,7,8,9,9a,9b-octahydro-3aH-benzo[g]benzofuran-9-carbaldehyde
CAS Name: 4,6-dihydroxy-5a-methyl-3-methylene-2-oxo-4,5,6,7,8,9,9a,9b-octahydro-3aH-benzo[g]benzofuran-9-carboxaldehyde
IUPAC NAME: 4,6-dihydroxy-5a-methyl-3-methylidene-2-oxo-4,5,6,7,8,9,9a,9b-octahydro-3aH-benzo[g][1]benzofuran-9-carbaldehyde
SYSTEMATIC NAME: 5a-methyl-3-methylidene-4,6-bis(oxidanyl)-2-oxidanylidene-4,5,6,7,8,9,9a,9b-octahydro-3aH-benzo[g][1]benzofuran-9-carbaldehyde
MOLECULAR FORMULA: C15H20O5
MOLECULAR WEIGHT: 280.3163
SMILES: CC12CC(C3C(C1C(CCC2O)C=O)OC(=O)C3=C)O
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Product OPENEYE NAME: 2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-(4-hydroxyphenyl)acetonitrile
CAS Name: 2-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-2-(4-hydroxyphenyl)acetonitrile
IUPAC NAME: 2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(4-hydroxyphenyl)acetonitrile
SYSTEMATIC NAME: 2-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)ethanenitrile
MOLECULAR FORMULA: C20H27NO11
MOLECULAR WEIGHT: 457.42848
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC(C#N)C3=CC=C(C=C3)O)CO)O)O)O)O)O
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Product OPENEYE NAME: 3-[(3,4-dimethoxyphenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]tetrahydrofuran-2-one
CAS Name: 3-[(3,4-dimethoxyphenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-oxolanone
IUPAC NAME: 3-[(3,4-dimethoxyphenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]oxolan-2-one
SYSTEMATIC NAME: 3-[(3,4-dimethoxyphenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]oxolan-2-one
MOLECULAR FORMULA: C22H24O7
MOLECULAR WEIGHT: 400.42176
SMILES: COC1=C(C=C(C=C1)CC2C(COC2=O)CC3=CC4=C(C(=C3)OC)OCO4)OC
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Product OPENEYE NAME: [(2R,3S,4S,5R,6S)-6-[(2S,4R,5R,6S)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-3-yl]oxy-6-methyl-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl
CAS Name: (E)-3-(4-hydroxyphenyl)-2-propenoic acid [(2R,3S,4S,5R,6S)-6-[[(2S,4R,5R,6S)-4,5-dihydroxy-2-[[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-3-yl]oxy]-6-methyl-3-oxanyl]oxy]-3,4,5-tr
IUPAC NAME: [(2R,3S,4S,5R,6S)-6-[(2S,4R,5R,6S)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-
SYSTEMATIC NAME: [(2R,3S,4S,5R,6S)-6-[(2S,4R,5R,6S)-2-[7-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-5-oxidanyl-4-oxidanylidene-chromen-3-yl]oxy-6-methyl-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl (E)-
MOLECULAR FORMULA: C42H46O22
MOLECULAR WEIGHT: 902.80144
SMILES: C[C@H]1[C@@H]([C@H](C([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC=C(C=C5)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)/C=C/C7=CC=C(C=C7)O)O)O)O)O)O
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Product OPENEYE NAME: [(2R,3S,4S,5R,6S)-6-[(2S,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-chromen-3-yl]oxy-4,5-dihydroxy-6-methyl-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
CAS Name: (E)-3-(4-hydroxyphenyl)-2-propenoic acid [(2R,3S,4S,5R,6S)-6-[[(2S,4R,5R,6S)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-1-benzopyran-3-yl]oxy]-4,5-dihydroxy-6-methyl-3-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanyl]methyl ester
IUPAC NAME: [(2R,3S,4S,5R,6S)-6-[(2S,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2R,3S,4S,5R,6S)-6-[(2S,4R,5R,6S)-2-[2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]oxy-6-methyl-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C36H36O18
MOLECULAR WEIGHT: 756.66024
SMILES: C[C@H]1[C@@H]([C@H](C([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)/C=C/C6=CC=C(C=C6)O)O)O)O)O)O
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Product OPENEYE NAME: 4-[4-(hydroxymethyl)-5-oxo-cyclohex-3-en-1-yl]-2-isobutyl-2H-furan-5-one
CAS Name: 4-[4-(hydroxymethyl)-5-oxo-1-cyclohex-3-enyl]-2-(2-methylpropyl)-2H-furan-5-one
IUPAC NAME: 4-[4-(hydroxymethyl)-5-oxocyclohex-3-en-1-yl]-2-(2-methylpropyl)-2H-furan-5-one
SYSTEMATIC NAME: 4-[4-(hydroxymethyl)-5-oxidanylidene-cyclohex-3-en-1-yl]-2-(2-methylpropyl)-2H-furan-5-one
MOLECULAR FORMULA: C15H20O4
MOLECULAR WEIGHT: 264.3169
SMILES: CC(C)CC1C=C(C(=O)O1)C2CC=C(C(=O)C2)CO
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Product OPENEYE NAME: 1-[4-[2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethoxy]phenyl]propane-1,2-diol
CAS Name: 1-[4-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]oxyphenyl]propane-1,2-diol
IUPAC NAME: 1-[4-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]oxyphenyl]propane-1,2-diol
SYSTEMATIC NAME: 1-[4-[1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]oxyphenyl]propane-1,2-diol
MOLECULAR FORMULA: C18H22O5
MOLECULAR WEIGHT: 318.36428
SMILES: CC(C(C1=CC=C(C=C1)OC(C)C(C2=CC=C(C=C2)O)O)O)O
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Product OPENEYE NAME: (E)-7-(4-hydroxyphenyl)-1-phenyl-hept-4-en-3-one
CAS Name: (E)-7-(4-hydroxyphenyl)-1-phenyl-4-hepten-3-one
IUPAC NAME: (E)-7-(4-hydroxyphenyl)-1-phenylhept-4-en-3-one
SYSTEMATIC NAME: (E)-7-(4-hydroxyphenyl)-1-phenyl-hept-4-en-3-one
MOLECULAR FORMULA: C19H20O2
MOLECULAR WEIGHT: 280.3609
SMILES: C1=CC=C(C=C1)CCC(=O)/C=C/CCC2=CC=C(C=C2)O
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