CAS RN: 154766-48-0
CAS Name: 3,3-bis(1-butyl-2-methyl-3-indolyl)-1-isobenzofuranone
OPENEYE Name: 3,3-bis(1-butyl-2-methyl-indol-3-yl)isobenzofuran-1-one
IUPAC Name: 3,3-bis(1-butyl-2-methylindol-3-yl)-2-benzofuran-1-one
SYSTEMATIC NAME: 3,3-bis(1-butyl-2-methyl-indol-3-yl)-2-benzofuran-1-one
MOLECULAR FORMULA: C34H36N2O2
MOLECULAR WEIGHT: 504.66184
SMILES: CCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)CCCC)C)C
Structure:
CAS RN: 160338-36-3
CAS Name: 3,3-bis(1-butyl-2-methyl-3-indolyl)-1-isobenzofuranone
OPENEYE Name: 3,3-bis(1-butyl-2-methyl-indol-3-yl)isobenzofuran-1-one
IUPAC Name: 3,3-bis(1-butyl-2-methylindol-3-yl)-2-benzofuran-1-one
SYSTEMATIC NAME: 3,3-bis(1-butyl-2-methyl-indol-3-yl)-2-benzofuran-1-one
MOLECULAR FORMULA: C34H36N2O2
MOLECULAR WEIGHT: 504.66184
SMILES: CCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)CCCC)C)C
Structure:
CAS RN: 161279-44-3
CAS Name: 3,3-bis(1-butyl-2-methyl-3-indolyl)-1-isobenzofuranone
OPENEYE Name: 3,3-bis(1-butyl-2-methyl-indol-3-yl)isobenzofuran-1-one
IUPAC Name: 3,3-bis(1-butyl-2-methylindol-3-yl)-2-benzofuran-1-one
SYSTEMATIC NAME: 3,3-bis(1-butyl-2-methyl-indol-3-yl)-2-benzofuran-1-one
MOLECULAR FORMULA: C34H36N2O2
MOLECULAR WEIGHT: 504.66184
SMILES: CCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)CCCC)C)C
Structure:
CAS RN: 50292-91-6
CAS Name: 3,3-bis(1-butyl-2-methyl-3-indolyl)-1-isobenzofuranone
OPENEYE Name: 3,3-bis(1-butyl-2-methyl-indol-3-yl)isobenzofuran-1-one
IUPAC Name: 3,3-bis(1-butyl-2-methylindol-3-yl)-2-benzofuran-1-one
SYSTEMATIC NAME: 3,3-bis(1-butyl-2-methyl-indol-3-yl)-2-benzofuran-1-one
MOLECULAR FORMULA: C34H36N2O2
MOLECULAR WEIGHT: 504.66184
SMILES: CCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)CCCC)C)C
Structure:
CAS RN: 5450-29-3
CAS Name: 1-tert-butylazo-1-cyclopentanol
OPENEYE Name: 1-tert-butylazocyclopentanol
IUPAC Name: 1-(tert-butyldiazenyl)cyclopentan-1-ol
SYSTEMATIC NAME: 1-(tert-butyldiazenyl)cyclopentan-1-ol
MOLECULAR FORMULA: C9H18N2O
MOLECULAR WEIGHT: 170.25202
SMILES: CC(C)(C)N=NC1(CCCC1)O
Structure:
CAS RN: 49848-01-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H32O4
MOLECULAR WEIGHT: 372.49778
SMILES: C[C@]12CCC(=O)C=C1[C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4CC[C@]5(CCC(=O)O)O)C
Structure:
CAS RN: 5447-85-8
CAS Name: [(2R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-(phosphonooxymethyl)-3-oxolanyl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl hydrogen phosphate
OPENEYE Name: [(2R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate
IUPAC Name: [(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
SYSTEMATIC NAME: [(2R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate
MOLECULAR FORMULA: C19H27N5O14P2
MOLECULAR WEIGHT: 611.390302
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OC3C[C@@H](O[C@@H]3COP(=O)(O)O)N4C=CC(=NC4=O)N)O
Structure:
CAS RN: 6633-30-3
CAS Name: (3R)-3,6,8-trihydroxy-3,4-dihydro-2H-naphthalen-1-one
OPENEYE Name: (3R)-3,6,8-trihydroxytetralin-1-one
IUPAC Name: (3R)-3,6,8-trihydroxy-3,4-dihydro-2H-naphthalen-1-one
SYSTEMATIC NAME: (3R)-3,6,8-tris(oxidanyl)-3,4-dihydro-2H-naphthalen-1-one
MOLECULAR FORMULA: C10H10O4
MOLECULAR WEIGHT: 194.184
SMILES: C1[C@H](CC(=O)C2=C(C=C(C=C21)O)O)O
Structure:
CAS RN: 6633-31-4
CAS Name: (3R)-3,6,8-trihydroxy-3,4-dihydro-2H-naphthalen-1-one
OPENEYE Name: (3R)-3,6,8-trihydroxytetralin-1-one
IUPAC Name: (3R)-3,6,8-trihydroxy-3,4-dihydro-2H-naphthalen-1-one
SYSTEMATIC NAME: (3R)-3,6,8-tris(oxidanyl)-3,4-dihydro-2H-naphthalen-1-one
MOLECULAR FORMULA: C10H10O4
MOLECULAR WEIGHT: 194.184
SMILES: C1[C@H](CC(=O)C2=C(C=C(C=C21)O)O)O
Structure:
CAS RN: 49598-85-8
CAS Name: (3R)-3,6,8-trihydroxy-3,4-dihydro-2H-naphthalen-1-one
OPENEYE Name: (3R)-3,6,8-trihydroxytetralin-1-one
IUPAC Name: (3R)-3,6,8-trihydroxy-3,4-dihydro-2H-naphthalen-1-one
SYSTEMATIC NAME: (3R)-3,6,8-tris(oxidanyl)-3,4-dihydro-2H-naphthalen-1-one
MOLECULAR FORMULA: C10H10O4
MOLECULAR WEIGHT: 194.184
SMILES: C1[C@H](CC(=O)C2=C(C=C(C=C21)O)O)O
Structure:
CAS RN: 5440-57-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H42N3O3+
MOLECULAR WEIGHT: 456.64068
SMILES: CC[C@@H]1[C@H]([N+]2([C@H]3CC1C4[C@@H]2C[C@@]5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4O)CC(CN(CC)CC)O)O
Structure:
CAS RN: 5440-58-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H42N3O3+
MOLECULAR WEIGHT: 456.64068
SMILES: CC[C@@H]1[C@H]([N+]2([C@H]3CC1C4[C@@H]2C[C@@]5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4O)CC(CN(CC)CC)O)O
Structure:
CAS RN: 47491-38-3
CAS Name: 2-(4-azepanyl)-4-[(4-chlorophenyl)methyl]-1-phthalazinone
OPENEYE Name: 2-(azepan-4-yl)-4-[(4-chlorophenyl)methyl]phthalazin-1-one
IUPAC Name: 2-(azepan-4-yl)-4-[(4-chlorophenyl)methyl]phthalazin-1-one
SYSTEMATIC NAME: 2-(azepan-4-yl)-4-[(4-chlorophenyl)methyl]phthalazin-1-one
MOLECULAR FORMULA: C21H22ClN3O
MOLECULAR WEIGHT: 367.87188
SMILES: C1CC(CCNC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl
Structure:
CAS RN: 54400-59-8
CAS Name: 2-(4-azepanyl)-4-[(4-chlorophenyl)methyl]-1-phthalazinone
OPENEYE Name: 2-(azepan-4-yl)-4-[(4-chlorophenyl)methyl]phthalazin-1-one
IUPAC Name: 2-(azepan-4-yl)-4-[(4-chlorophenyl)methyl]phthalazin-1-one
SYSTEMATIC NAME: 2-(azepan-4-yl)-4-[(4-chlorophenyl)methyl]phthalazin-1-one
MOLECULAR FORMULA: C21H22ClN3O
MOLECULAR WEIGHT: 367.87188
SMILES: C1CC(CCNC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl
Structure:
CAS RN: 17176-01-1
CAS Name: copper(1+); triphenylphosphine; iodide
OPENEYE Name: cuprous triphenylphosphane iodide
IUPAC Name: copper(1+); triphenylphosphane; iodide
SYSTEMATIC NAME: copper(1+); triphenylphosphane; iodide
MOLECULAR FORMULA: C18H15CuIP
MOLECULAR WEIGHT: 452.735931
SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cu+].[I-]
Structure:
CAS RN: 5426-95-9
CAS Name: 2-propenoic acid (1,2,2,6,6-pentamethyl-4-piperidinyl) ester
OPENEYE Name: (1,2,2,6,6-pentamethyl-4-piperidyl) prop-2-enoate
IUPAC Name: (1,2,2,6,6-pentamethylpiperidin-4-yl) prop-2-enoate
SYSTEMATIC NAME: (1,2,2,6,6-pentamethylpiperidin-4-yl) prop-2-enoate
MOLECULAR FORMULA: C13H23NO2
MOLECULAR WEIGHT: 225.32722
SMILES: CC1(CC(CC(N1C)(C)C)OC(=O)C=C)C
Structure:
CAS RN: 5426-98-2
CAS Name: 2-propenoic acid (1,2,2,6,6-pentamethyl-4-piperidinyl) ester
OPENEYE Name: (1,2,2,6,6-pentamethyl-4-piperidyl) prop-2-enoate
IUPAC Name: (1,2,2,6,6-pentamethylpiperidin-4-yl) prop-2-enoate
SYSTEMATIC NAME: (1,2,2,6,6-pentamethylpiperidin-4-yl) prop-2-enoate
MOLECULAR FORMULA: C13H23NO2
MOLECULAR WEIGHT: 225.32722
SMILES: CC1(CC(CC(N1C)(C)C)OC(=O)C=C)C
Structure:
CAS RN: 5425-49-0
CAS Name: acetic acid [(3S,5S,10S,13S,17R)-17-hydroxy-10,13-dimethyl-2,16-bis(1-methyl-1-piperidin-1-iumyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,5S,10S,13S,17R)-17-hydroxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [(3S,5S,10S,13S,17R)-17-hydroxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3S,5S,10S,13S,17R)-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-17-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C33H58N2O3+2
MOLECULAR WEIGHT: 530.82522
SMILES: CC(=O)O[C@H]1C[C@@H]2CCC3C([C@]2(CC1[N+]4(CCCCC4)C)C)CC[C@]5(C3CC([C@@H]5O)[N+]6(CCCCC6)C)C
Structure:
CAS RN: 42902-32-9
CAS Name: 5-(hydroxymethyl)-3-(4-methoxyphenyl)-2-oxazolidinone
OPENEYE Name: 5-(hydroxymethyl)-3-(4-methoxyphenyl)oxazolidin-2-one
IUPAC Name: 5-(hydroxymethyl)-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 5-(hydroxymethyl)-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C11H13NO4
MOLECULAR WEIGHT: 223.22522
SMILES: COC1=CC=C(C=C1)N2CC(OC2=O)CO
Structure:
CAS RN: 5424-90-8
CAS Name: 1-(4-dodecylanilino)anthracene-9,10-dione
OPENEYE Name: 1-(4-dodecylanilino)anthracene-9,10-dione
IUPAC Name: 1-(4-dodecylanilino)anthracene-9,10-dione
SYSTEMATIC NAME: 1-[(4-dodecylphenyl)amino]anthracene-9,10-dione
MOLECULAR FORMULA: C32H37NO2
MOLECULAR WEIGHT: 467.64168
SMILES: CCCCCCCCCCCCC1=CC=C(C=C1)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O
Structure:
CAS RN: 54246-65-0
CAS Name: 1-(2,2-dimethoxyethyl)-4-methylbenzene
OPENEYE Name: 1-(2,2-dimethoxyethyl)-4-methyl-benzene
IUPAC Name: 1-(2,2-dimethoxyethyl)-4-methylbenzene
SYSTEMATIC NAME: 1-(2,2-dimethoxyethyl)-4-methyl-benzene
MOLECULAR FORMULA: C11H16O2
MOLECULAR WEIGHT: 180.24354
SMILES: CC1=CC=C(C=C1)CC(OC)OC
Structure:
CAS RN: 400848-05-7
CAS Name: 2-(3-hydroxy-2-quinolinyl)cyclopenta[b]naphthalene-1,3-dione
OPENEYE Name: 2-(3-hydroxy-2-quinolyl)cyclopenta[b]naphthalene-1,3-dione
IUPAC Name: 2-(3-hydroxyquinolin-2-yl)cyclopenta[b]naphthalene-1,3-dione
SYSTEMATIC NAME: 2-(3-oxidanylquinolin-2-yl)cyclopenta[b]naphthalene-1,3-dione
MOLECULAR FORMULA: C22H13NO3
MOLECULAR WEIGHT: 339.34352
SMILES: C1=CC=C2C=C3C(=CC2=C1)C(=O)C(C3=O)C4=NC5=CC=CC=C5C=C4O
Structure:
CAS RN: 705289-96-9
CAS Name: 2-(3-hydroxy-2-quinolinyl)cyclopenta[b]naphthalene-1,3-dione
OPENEYE Name: 2-(3-hydroxy-2-quinolyl)cyclopenta[b]naphthalene-1,3-dione
IUPAC Name: 2-(3-hydroxyquinolin-2-yl)cyclopenta[b]naphthalene-1,3-dione
SYSTEMATIC NAME: 2-(3-oxidanylquinolin-2-yl)cyclopenta[b]naphthalene-1,3-dione
MOLECULAR FORMULA: C22H13NO3
MOLECULAR WEIGHT: 339.34352
SMILES: C1=CC=C2C=C3C(=CC2=C1)C(=O)C(C3=O)C4=NC5=CC=CC=C5C=C4O
Structure:
CAS RN: 42739-38-8
CAS Name: ammonium pentanoate
OPENEYE Name: ammonium pentanoate
IUPAC Name: azanium pentanoate
SYSTEMATIC NAME: azanium pentanoate
MOLECULAR FORMULA: C5H13NO2
MOLECULAR WEIGHT: 119.16222
SMILES: CCCCC(=O)[O-].[NH4+]
Structure:
CAS RN: 5417-97-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H29NO4
MOLECULAR WEIGHT: 407.50206
SMILES: CCCC(=O)OC1=C(C2=C(C[C@@H]3C4=C2C=CC=C4CCN3C)C=C1)OC(=O)CCC
Structure:
CAS RN: 5417-98-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H29NO4
MOLECULAR WEIGHT: 407.50206
SMILES: CCCC(=O)OC1=C(C2=C(C[C@@H]3C4=C2C=CC=C4CCN3C)C=C1)OC(=O)CCC
Structure:
CAS RN: 5417-29-8
CAS Name: 1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanone
OPENEYE Name: 1-(3,3-dimethylnorbornan-2-yl)ethanone
IUPAC Name: 1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanone
SYSTEMATIC NAME: 1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanone
MOLECULAR FORMULA: C11H18O
MOLECULAR WEIGHT: 166.26002
SMILES: CC(=O)C1C2CCC(C2)C1(C)C
Structure:
CAS RN: 54172-97-3
CAS Name: 1-(3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethanone
OPENEYE Name: 1-(3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethanone
IUPAC Name: 1-(3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethanone
SYSTEMATIC NAME: 1-(3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethanone
MOLECULAR FORMULA: C11H16O
MOLECULAR WEIGHT: 164.24414
SMILES: CC(=O)C1C2CC(C1(C)C)C=C2
Structure:
CAS RN: 5417-21-0
CAS Name: (1S,2S)-1-[(2S)-2-oxiranyl]-2-[(2R)-2-oxiranyl]ethane-1,2-diol
OPENEYE Name: (1S,2S)-1-[(2S)-oxiran-2-yl]-2-[(2R)-oxiran-2-yl]ethane-1,2-diol
IUPAC Name: (1S,2S)-1-[(2S)-oxiran-2-yl]-2-[(2R)-oxiran-2-yl]ethane-1,2-diol
SYSTEMATIC NAME: (1S,2S)-1-[(2S)-oxiran-2-yl]-2-[(2R)-oxiran-2-yl]ethane-1,2-diol
MOLECULAR FORMULA: C6H10O4
MOLECULAR WEIGHT: 146.1412
SMILES: C1[C@@H](O1)[C@H]([C@@H]([C@@H]2CO2)O)O
Structure:
CAS RN: 42220-47-3
CAS Name: 2-aminoethanol; (1-hydroxy-1-phosphonoethyl)phosphonic acid
OPENEYE Name: 2-aminoethanol; (1-hydroxy-1-phosphono-ethyl)phosphonic acid
IUPAC Name: 2-aminoethanol; (1-hydroxy-1-phosphonoethyl)phosphonic acid
SYSTEMATIC NAME: 2-azanylethanol; (1-oxidanyl-1-phosphono-ethyl)phosphonic acid
MOLECULAR FORMULA: C4H15NO8P2
MOLECULAR WEIGHT: 267.111322
SMILES: CC(O)(P(=O)(O)O)P(=O)(O)O.C(CO)N
Structure:
CAS RN: 5415-55-4
CAS Name: 2-aminoethanol; (1-hydroxy-1-phosphonoethyl)phosphonic acid
OPENEYE Name: 2-aminoethanol; (1-hydroxy-1-phosphono-ethyl)phosphonic acid
IUPAC Name: 2-aminoethanol; (1-hydroxy-1-phosphonoethyl)phosphonic acid
SYSTEMATIC NAME: 2-azanylethanol; (1-oxidanyl-1-phosphono-ethyl)phosphonic acid
MOLECULAR FORMULA: C4H15NO8P2
MOLECULAR WEIGHT: 267.111322
SMILES: CC(O)(P(=O)(O)O)P(=O)(O)O.C(CO)N
Structure:
CAS RN: 54155-62-3
CAS Name: 2-aminoethanol; (1-hydroxy-1-phosphonoethyl)phosphonic acid
OPENEYE Name: 2-aminoethanol; (1-hydroxy-1-phosphono-ethyl)phosphonic acid
IUPAC Name: 2-aminoethanol; (1-hydroxy-1-phosphonoethyl)phosphonic acid
SYSTEMATIC NAME: 2-azanylethanol; (1-oxidanyl-1-phosphono-ethyl)phosphonic acid
MOLECULAR FORMULA: C4H15NO8P2
MOLECULAR WEIGHT: 267.111322
SMILES: CC(O)(P(=O)(O)O)P(=O)(O)O.C(CO)N
Structure:
CAS RN: 5415-52-1
CAS Name: (6S,7S,8R,10R,13S,14S,17R)-6-hydroxy-10,13-dimethyl-7-(methylthio)spiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
OPENEYE Name: (6S,7S,8R,10R,13S,14S,17R)-6-hydroxy-10,13-dimethyl-7-methylsulfanyl-spiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-tetrahydrofuran]-2',3-dione
IUPAC Name: (6S,7S,8R,10R,13S,14S,17R)-6-hydroxy-10,13-dimethyl-7-methylsulfanylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
SYSTEMATIC NAME: (6S,7S,8R,10R,13S,14S,17R)-10,13-dimethyl-7-methylsulfanyl-6-oxidanyl-spiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
MOLECULAR FORMULA: C23H32O4S
MOLECULAR WEIGHT: 404.56278
SMILES: C[C@]12CCC3[C@H]([C@@H]1CC[C@@]24CCC(=O)O4)[C@@H]([C@H](C5=CC(=O)CC[C@]35C)O)SC
Structure:
CAS RN: 5415-54-3
CAS Name: (6S,7S,8R,10R,13S,14S,17R)-6-hydroxy-10,13-dimethyl-7-(methylthio)spiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
OPENEYE Name: (6S,7S,8R,10R,13S,14S,17R)-6-hydroxy-10,13-dimethyl-7-methylsulfanyl-spiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-tetrahydrofuran]-2',3-dione
IUPAC Name: (6S,7S,8R,10R,13S,14S,17R)-6-hydroxy-10,13-dimethyl-7-methylsulfanylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
SYSTEMATIC NAME: (6S,7S,8R,10R,13S,14S,17R)-10,13-dimethyl-7-methylsulfanyl-6-oxidanyl-spiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
MOLECULAR FORMULA: C23H32O4S
MOLECULAR WEIGHT: 404.56278
SMILES: C[C@]12CCC3[C@H]([C@@H]1CC[C@@]24CCC(=O)O4)[C@@H]([C@H](C5=CC(=O)CC[C@]35C)O)SC
Structure:
CAS RN: 54119-53-8
CAS Name: (6R,9S,12S)-3-[(2S)-butan-2-yl]-6-[(4-methoxyphenyl)methyl]-9-[6-(2-oxiranyl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
OPENEYE Name: (6R,9S,12S)-6-[(4-methoxyphenyl)methyl]-3-[(1S)-1-methylpropyl]-9-[6-(oxiran-2-yl)-6-oxo-hexyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
IUPAC Name: (6R,9S,12S)-3-[(2S)-butan-2-yl]-6-[(4-methoxyphenyl)methyl]-9-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
SYSTEMATIC NAME: (6R,9S,12S)-3-[(2S)-butan-2-yl]-6-[(4-methoxyphenyl)methyl]-9-[6-oxidanylidene-6-(oxiran-2-yl)hexyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
MOLECULAR FORMULA: C32H46N4O7
MOLECULAR WEIGHT: 598.73024
SMILES: CC[C@H](C)C1C(=O)N2CCCC[C@H]2C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CC3=CC=C(C=C3)OC)CCCCCC(=O)C4CO4
Structure:
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