CAS RN: 107784-01-0
CAS Name: (2S,3R)-3-[(4-butyl-4-methyl-1-piperazin-4-iumyl)methyl]-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one bromide
OPENEYE Name: (2S,3R)-3-[(4-butyl-4-methyl-piperazin-4-ium-1-yl)methyl]-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one bromide
IUPAC Name: (2S,3R)-3-[(4-butyl-4-methylpiperazin-4-ium-1-yl)methyl]-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one bromide
SYSTEMATIC NAME: (2S,3R)-3-[(4-butyl-4-methyl-piperazin-4-ium-1-yl)methyl]-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one bromide
MOLECULAR FORMULA: C25H34BrN3OS
MOLECULAR WEIGHT: 504.52596
SMILES: CCCC[N+]1(CCN(CC1)C[C@H]2[C@H](SC3=CC=CC=C3NC2=O)C4=CC=CC=C4)C.[Br-]
Structure:
CAS RN: 107767-58-8
CAS Name: 1-(5-hydroxy-5-methylhexyl)-3-methyl-7-propylpurine-2,6-dione
OPENEYE Name: 1-(5-hydroxy-5-methyl-hexyl)-3-methyl-7-propyl-purine-2,6-dione
IUPAC Name: 1-(5-hydroxy-5-methylhexyl)-3-methyl-7-propylpurine-2,6-dione
SYSTEMATIC NAME: 3-methyl-1-(5-methyl-5-oxidanyl-hexyl)-7-propyl-purine-2,6-dione
MOLECULAR FORMULA: C16H26N4O3
MOLECULAR WEIGHT: 322.40264
SMILES: CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)(C)O
Structure:
CAS RN: 123363-40-6
CAS Name: 5,7-dibromo-9-methyl-6-pyrido[3,4-b]indolol
OPENEYE Name: 5,7-dibromo-9-methyl-pyrido[3,4-b]indol-6-ol
IUPAC Name: 5,7-dibromo-9-methylpyrido[3,4-b]indol-6-ol
SYSTEMATIC NAME: 5,7-bis(bromanyl)-9-methyl-pyrido[3,4-b]indol-6-ol
MOLECULAR FORMULA: C12H8Br2N2O
MOLECULAR WEIGHT: 356.01272
SMILES: CN1C2=CC(=C(C(=C2C3=C1C=NC=C3)Br)O)Br
Structure:
CAS RN: 107759-58-0
CAS Name: 4-tributylstannylbenzoic acid (2,5-dioxo-1-pyrrolidinyl) ester
OPENEYE Name: (2,5-dioxopyrrolidin-1-yl) 4-tributylstannylbenzoate
IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 4-tributylstannylbenzoate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 4-tributylstannylbenzoate
MOLECULAR FORMULA: C23H35NO4Sn
MOLECULAR WEIGHT: 508.2383
SMILES: CCCC[Sn](CCCC)(CCCC)C1=CC=C(C=C1)C(=O)ON2C(=O)CCC2=O
Structure:
CAS RN: 123354-91-6
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxy-1-oxopropyl]amino]-3-carboxy-1-oxopropyl]amino]-4-carboxy-1-oxobutyl]amino]butanedioic acid
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxy-propanoyl]amino]-3-carboxy-propanoyl]amino]-4-carboxy-butanoyl]amino]butanedioic acid
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]butanedioic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]butanedioic acid
MOLECULAR FORMULA: C17H24N4O13
MOLECULAR WEIGHT: 492.39146
SMILES: C(CC(=O)O)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)N
Structure:
CAS RN: 107759-11-5
CAS Name: N-nitroso-N-[4-oxo-1-(3-pyridinyl)butyl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-nitroso-N-[4-oxo-1-(3-pyridyl)butyl]carbamate
IUPAC Name: ethyl N-nitroso-N-(4-oxo-1-pyridin-3-ylbutyl)carbamate
SYSTEMATIC NAME: ethyl N-nitroso-N-(4-oxidanylidene-1-pyridin-3-yl-butyl)carbamate
MOLECULAR FORMULA: C12H15N3O4
MOLECULAR WEIGHT: 265.2652
SMILES: CCOC(=O)N(C(CCC=O)C1=CN=CC=C1)N=O
Structure:
CAS RN: 107758-24-7
CAS Name: 7-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol hydrochloride
OPENEYE Name: 3-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]tetralin-6-ol hydrochloride
IUPAC Name: 7-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol hydrochloride
SYSTEMATIC NAME: 7-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol hydrochloride
MOLECULAR FORMULA: C18H21Cl2NO2
MOLECULAR WEIGHT: 354.27084
SMILES: C1CC2=C(CC1NCC(C3=CC(=CC=C3)Cl)O)C=C(C=C2)O.Cl
Structure:
CAS RN: 123317-51-1
CAS Name: 2-[4,7,10-tris(carboxymethyl)-6-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
OPENEYE Name: 2-[4,7,10-tris(carboxymethyl)-6-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
IUPAC Name: 2-[4,7,10-tris(carboxymethyl)-6-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
SYSTEMATIC NAME: 2-[4,7,10-tris(2-hydroxy-2-oxoethyl)-6-[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid
MOLECULAR FORMULA: C23H33N5O10
MOLECULAR WEIGHT: 539.53562
SMILES: C1CN(CCN(C(CN(CCN1CC(=O)O)CC(=O)O)CC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)O)CC(=O)O
Structure:
CAS RN: 107758-16-7
CAS Name: 7-[(2-hydroxy-2-phenylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol hydrochloride
OPENEYE Name: 3-[(2-hydroxy-2-phenyl-ethyl)amino]tetralin-6-ol hydrochloride
IUPAC Name: 7-[(2-hydroxy-2-phenylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol hydrochloride
SYSTEMATIC NAME: 7-[(2-oxidanyl-2-phenyl-ethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol hydrochloride
MOLECULAR FORMULA: C18H22ClNO2
MOLECULAR WEIGHT: 319.82578
SMILES: C1CC2=C(CC1NCC(C3=CC=CC=C3)O)C=C(C=C2)O.Cl
Structure:
CAS RN: 107757-79-9
CAS Name: 2-hydroxy-2-phenylpropanoic acid 1-azabicyclo[2.2.2]octan-3-yl ester
OPENEYE Name: quinuclidin-3-yl 2-hydroxy-2-phenyl-propanoate
IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylpropanoate
SYSTEMATIC NAME: 1-azabicyclo[2.2.2]octan-3-yl 2-oxidanyl-2-phenyl-propanoate
MOLECULAR FORMULA: C16H21NO3
MOLECULAR WEIGHT: 275.34284
SMILES: CC(C1=CC=CC=C1)(C(=O)OC2CN3CCC2CC3)O
Structure:
CAS RN: 107752-02-3
CAS Name: 1-[2-[4-(2-methoxy-6-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)phenoxy]ethyl]pyrrolidine
OPENEYE Name: 1-[2-[4-(2-methoxy-6-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)phenoxy]ethyl]pyrrolidine
IUPAC Name: 1-[2-[4-(2-methoxy-6-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)phenoxy]ethyl]pyrrolidine
SYSTEMATIC NAME: 1-[2-[4-(2-methoxy-6-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)phenoxy]ethyl]pyrrolidine
MOLECULAR FORMULA: C30H35NO2
MOLECULAR WEIGHT: 441.6044
SMILES: COC1=CC2=C(C=C1)C(C(CCC2)C3=CC=CC=C3)C4=CC=C(C=C4)OCCN5CCCC5
Structure:
CAS RN: 123300-09-4
CAS Name: 5-[[2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-4-hydroxy-7-methyl-N-[3-methyl-1-oxo-1-(2-pyridinylmethylamino)pentan-2-yl]-2-propan-2-yloctanamide
OPENEYE Name: 5-[[2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-hydroxy-2-isopropyl-7-methyl-N-[2-methyl-1-(2-pyridylmethylcarbamoyl)butyl]octanamide
IUPAC Name: 5-[[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-hydroxy-7-methyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-yloctanamide
SYSTEMATIC NAME: 5-[[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]-7-methyl-N-[3-methyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)pentan-2-yl]-4-oxidanyl-2-propan-2-yl-octanamide
MOLECULAR FORMULA: C42H60N8O6S
MOLECULAR WEIGHT: 805.0408
SMILES: CCC(C)C(C(=O)NCC1=CC=CC=N1)NC(=O)C(CC(C(CC(C)C)NC(=O)C(CC2=CN=CN2)NS(=O)(=O)C3=CC=CC4=C3C=CC=C4N(C)C)O)C(C)C
Structure:
CAS RN: 123297-52-9
CAS Name: 6-methyl-5-pyridin-4-yl-3,6-dihydro-1,3,4-thiadiazin-2-one
OPENEYE Name: 6-methyl-5-(4-pyridyl)-3,6-dihydro-1,3,4-thiadiazin-2-one
IUPAC Name: 6-methyl-5-pyridin-4-yl-3,6-dihydro-1,3,4-thiadiazin-2-one
SYSTEMATIC NAME: 6-methyl-5-pyridin-4-yl-3,6-dihydro-1,3,4-thiadiazin-2-one
MOLECULAR FORMULA: C9H9N3OS
MOLECULAR WEIGHT: 207.25226
SMILES: CC1C(=NNC(=O)S1)C2=CC=NC=C2
Structure:
CAS RN: 107743-39-5
CAS Name: 7-(diethylamino)-3-(4-isothiocyanatophenyl)-4-methyl-1-benzopyran-2-one
OPENEYE Name: 7-(diethylamino)-3-(4-isothiocyanatophenyl)-4-methyl-chromen-2-one
IUPAC Name: 7-(diethylamino)-3-(4-isothiocyanatophenyl)-4-methylchromen-2-one
SYSTEMATIC NAME: 7-(diethylamino)-3-(4-isothiocyanatophenyl)-4-methyl-chromen-2-one
MOLECULAR FORMULA: C21H20N2O2S
MOLECULAR WEIGHT: 364.4607
SMILES: CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=C(C=C3)N=C=S)C
Structure:
CAS RN: 123285-50-7
CAS Name: (2S)-N-[(2S)-2-[[(2S)-2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-1-oxopropyl]amino]-1-oxopropyl]-1-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]-2-pyrrolidinecarboxamide
OPENEYE Name: (2S)-N-[(2S)-2-[[(2S)-2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]propanoyl]amino]propanoyl]-1-[(1S)-3,3,3-trifluoro-1-isopropyl-2-oxo-propyl]pyrrolidine-2-carboxamide
IUPAC Name: (2S)-N-[(2S)-2-[[(2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanoyl]amino]propanoyl]-1-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]pyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-N-[(2S)-2-[[(2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanoyl]amino]propanoyl]-1-[(3S)-1,1,1-tris(fluoranyl)-4-methyl-2-oxidanylidene-pentan-3-yl]pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C29H38F3N5O6S
MOLECULAR WEIGHT: 641.70213
SMILES: C[C@@H](C(=O)NC(=O)[C@@H]1CCCN1[C@@H](C(C)C)C(=O)C(F)(F)F)NC(=O)[C@H](C)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C
Structure:
CAS RN: 107740-90-9
CAS Name: 3,3-dimethyl-7-oxo-6-(trifluoromethylsulfonyloxy)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: 3,3-dimethyl-7-oxo-6-(trifluoromethylsulfonyloxy)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: 3,3-dimethyl-7-oxo-6-(trifluoromethylsulfonyloxy)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: 3,3-dimethyl-7-oxidanylidene-6-(trifluoromethylsulfonyloxy)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C9H10F3NO6S2
MOLECULAR WEIGHT: 349.30401
SMILES: CC1(C(N2C(S1)C(C2=O)OS(=O)(=O)C(F)(F)F)C(=O)O)C
Structure:
CAS RN: 107740-67-0
CAS Name: (5R,6S)-3-(aminomethyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
OPENEYE Name: (5R,6S)-3-(aminomethyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC Name: (5R,6S)-3-(aminomethyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (5R,6S)-3-(aminomethyl)-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C9H12N2O4S
MOLECULAR WEIGHT: 244.26758
SMILES: C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)CN)C(=O)O)O
Structure:
CAS RN: 123259-91-6
CAS Name: 1-[[1-[2-(trifluoromethyl)-4-pyrimidinyl]-4-piperidinyl]methyl]-2-pyrrolidinone
OPENEYE Name: 1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]-4-piperidyl]methyl]pyrrolidin-2-one
IUPAC Name: 1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one
SYSTEMATIC NAME: 1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one
MOLECULAR FORMULA: C15H19F3N4O
MOLECULAR WEIGHT: 328.33277
SMILES: C1CC(=O)N(C1)CC2CCN(CC2)C3=NC(=NC=C3)C(F)(F)F
Structure:
CAS RN: 107707-38-0
CAS Name: N'-(3,5-dichlorophenyl)-4-(4-hydroxy-2-methoxyphenyl)-1-piperazinecarboximidamide
OPENEYE Name: N'-(3,5-dichlorophenyl)-4-(4-hydroxy-2-methoxy-phenyl)piperazine-1-carboxamidine
IUPAC Name: N'-(3,5-dichlorophenyl)-4-(4-hydroxy-2-methoxyphenyl)piperazine-1-carboximidamide
SYSTEMATIC NAME: N'-[3,5-bis(chloranyl)phenyl]-4-(2-methoxy-4-oxidanyl-phenyl)piperazine-1-carboximidamide
MOLECULAR FORMULA: C18H20Cl2N4O2
MOLECULAR WEIGHT: 395.283
SMILES: COC1=C(C=CC(=C1)O)N2CCN(CC2)C(=NC3=CC(=CC(=C3)Cl)Cl)N
Structure:
CAS RN: 123258-98-0
CAS Name: 6-methoxy-2-oxo-3H-benzimidazole-1-carboxylic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester hydrochloride
OPENEYE Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 6-methoxy-2-oxo-3H-benzimidazole-1-carboxylate hydrochloride
IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 6-methoxy-2-oxo-3H-benzimidazole-1-carboxylate hydrochloride
SYSTEMATIC NAME: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 6-methoxy-2-oxidanylidene-3H-benzimidazole-1-carboxylate hydrochloride
MOLECULAR FORMULA: C17H22ClN3O4
MOLECULAR WEIGHT: 367.82728
SMILES: CN1C2CCC1CC(C2)OC(=O)N3C4=C(C=CC(=C4)OC)NC3=O.Cl
Structure:
CAS RN: 123252-23-3
CAS Name: 2-[8-[[(4-diazonio-N-methylanilino)-oxomethyl]amino]-1-oxooctoxy]ethyl-trimethylammonium
OPENEYE Name: 2-[8-[[(4-diazoniophenyl)-methyl-carbamoyl]amino]octanoyloxy]ethyl-trimethyl-ammonium
IUPAC Name: 2-[8-[[(4-diazoniophenyl)-methylcarbamoyl]amino]octanoyloxy]ethyl-trimethylazanium
SYSTEMATIC NAME: 2-[8-[[(4-diazoniophenyl)-methyl-carbamoyl]amino]octanoyloxy]ethyl-trimethyl-azanium
MOLECULAR FORMULA: C21H35N5O3+2
MOLECULAR WEIGHT: 405.5343
SMILES: CN(C1=CC=C(C=C1)[N+]#N)C(=O)NCCCCCCCC(=O)OCC[N+](C)(C)C
Structure:
CAS RN: 107700-98-1
CAS Name: 4-[(2-methyl-1-imidazolyl)methyl]phenol
OPENEYE Name: 4-[(2-methylimidazol-1-yl)methyl]phenol
IUPAC Name: 4-[(2-methylimidazol-1-yl)methyl]phenol
SYSTEMATIC NAME: 4-[(2-methylimidazol-1-yl)methyl]phenol
MOLECULAR FORMULA: C11H12N2O
MOLECULAR WEIGHT: 188.22578
SMILES: CC1=NC=CN1CC2=CC=C(C=C2)O
Structure:
CAS RN: 123250-77-1
CAS Name: 2,6-dimethyl-5-nitro-4-(3-thieno[3,2-c]pyridinyl)-1,4-dihydropyridine-3-carboxylic acid 1-phenylethyl ester
OPENEYE Name: 1-phenylethyl 2,6-dimethyl-5-nitro-4-thieno[3,2-c]pyridin-3-yl-1,4-dihydropyridine-3-carboxylate
IUPAC Name: 1-phenylethyl 2,6-dimethyl-5-nitro-4-thieno[3,2-c]pyridin-3-yl-1,4-dihydropyridine-3-carboxylate
SYSTEMATIC NAME: 1-phenylethyl 2,6-dimethyl-5-nitro-4-thieno[3,2-c]pyridin-3-yl-1,4-dihydropyridine-3-carboxylate
MOLECULAR FORMULA: C23H21N3O4S
MOLECULAR WEIGHT: 435.49554
SMILES: CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CSC3=C2C=NC=C3)C(=O)OC(C)C4=CC=CC=C4
Structure:
CAS RN: 123232-63-3
CAS Name: 1-(4-nitrophenyl)-2-propen-1-ol
OPENEYE Name: 1-(4-nitrophenyl)prop-2-en-1-ol
IUPAC Name: 1-(4-nitrophenyl)prop-2-en-1-ol
SYSTEMATIC NAME: 1-(4-nitrophenyl)prop-2-en-1-ol
MOLECULAR FORMULA: C9H9NO3
MOLECULAR WEIGHT: 179.17266
SMILES: C=CC(C1=CC=C(C=C1)[N+](=O)[O-])O
Structure:
CAS RN: 107655-65-2
CAS Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
OPENEYE Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
SYSTEMATIC NAME: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
MOLECULAR FORMULA: C27H46O3
MOLECULAR WEIGHT: 418.65234
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C=C4[C@@]3(CC[C@@H](C4)O)C)O)C
Structure:
CAS RN: 123220-47-3
CAS Name: 2-propyl-5-(3,4,5-trimethoxyphenyl)oxolane
OPENEYE Name: 2-propyl-5-(3,4,5-trimethoxyphenyl)tetrahydrofuran
IUPAC Name: 2-propyl-5-(3,4,5-trimethoxyphenyl)oxolane
SYSTEMATIC NAME: 2-propyl-5-(3,4,5-trimethoxyphenyl)oxolane
MOLECULAR FORMULA: C16H24O4
MOLECULAR WEIGHT: 280.35936
SMILES: CCCC1CCC(O1)C2=CC(=C(C(=C2)OC)OC)OC
Structure:
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