CAS RN: 152645-84-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H36O11
MOLECULAR WEIGHT: 548.57884
SMILES: CC1=CC(=O)[C@H]([C@]2([C@H]1C[C@@H]3C45[C@@H]2[C@H]([C@@H]([C@@]([C@@H]4[C@H](C(=O)O3)OC(=O)/C=C(\C)/C(C)C)(CO5)C(=O)OC)O)O)C)O
Structure:
CAS RN: 152574-10-2
CAS Name: (E)-3-[3-methoxy-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-2-propenoic acid methyl ester
OPENEYE Name: methyl (E)-3-[3-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]prop-2-enoate
IUPAC Name: methyl (E)-3-[3-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
SYSTEMATIC NAME: methyl (E)-3-[3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-methoxy-phenyl]prop-2-enoate
MOLECULAR FORMULA: C17H22O9
MOLECULAR WEIGHT: 370.35118
SMILES: COC1=CC(=CC(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)/C=C/C(=O)OC
Structure:
CAS RN: 152509-92-7
CAS Name: (4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]-6a-[[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]methyl]-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
OPENEYE Name: (4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-6a-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
IUPAC Name: (4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-6a-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
SYSTEMATIC NAME: (4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-6a-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
MOLECULAR FORMULA: C48H60O8
MOLECULAR WEIGHT: 764.9852
SMILES: C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)COC(=O)/C=C/C6=CC=C(C=C6)O)C)(C)C)OC(=O)/C=C/C7=CC=C(C=C7)O
Structure:
CAS RN: 151455-08-2
CAS Name: 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxybenzaldehyde
OPENEYE Name: 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxy-benzaldehyde
IUPAC Name: 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxybenzaldehyde
SYSTEMATIC NAME: 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxy-benzaldehyde
MOLECULAR FORMULA: C18H24O3
MOLECULAR WEIGHT: 288.38136
SMILES: CC(=CCC/C(=C/COC1=C(C=C(C=C1)C=O)OC)/C)C
Structure:
CAS RN: 150829-93-9
CAS Name: (2E,4E,6E)-7-[(1R,5R,6S)-3-[[(2E,4E)-5-cyclohexyl-1-oxopenta-2,4-dienyl]amino]-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-5-yl]hepta-2,4,6-trienoic acid
OPENEYE Name: (2E,4E,6E)-7-[(1R,5R,6S)-3-[[(2E,4E)-5-cyclohexylpenta-2,4-dienoyl]amino]-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-5-yl]hepta-2,4,6-trienoic acid
IUPAC Name: (2E,4E,6E)-7-[(1R,5R,6S)-3-[[(2E,4E)-5-cyclohexylpenta-2,4-dienoyl]amino]-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-5-yl]hepta-2,4,6-trienoic acid
SYSTEMATIC NAME: (2E,4E,6E)-7-[(1R,5R,6S)-3-[[(2E,4E)-5-cyclohexylpenta-2,4-dienoyl]amino]-5-oxidanyl-2-oxidanylidene-7-oxabicyclo[4.1.0]hept-3-en-5-yl]hepta-2,4,6-trienoic acid
MOLECULAR FORMULA: C24H27NO6
MOLECULAR WEIGHT: 425.47428
SMILES: C1CCC(CC1)/C=C/C=C/C(=O)NC2=C[C@@]([C@@H]3[C@H](C2=O)O3)(/C=C/C=C/C=C/C(=O)O)O
Structure:
CAS RN: 128770-57-0
CAS Name: (E)-2-butenedioic acid; 7-(2-methylpropyl)-3-propan-2-ylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane]
OPENEYE Name: fumaric acid; 7-isobutyl-3-isopropyl-spiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane]
IUPAC Name: (E)-but-2-enedioic acid; 7-(2-methylpropyl)-3-propan-2-ylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane]
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 7-(2-methylpropyl)-3-propan-2-yl-spiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane]
MOLECULAR FORMULA: C27H44N2O8
MOLECULAR WEIGHT: 524.64686
SMILES: CC(CN1CC2C3(C(C1)CN(C2)C(C)C)CCCCC3)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 150501-63-6
CAS Name: (E)-2-butenedioic acid; 7-(2-methylpropyl)-3-propan-2-ylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane]
OPENEYE Name: fumaric acid; 7-isobutyl-3-isopropyl-spiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane]
IUPAC Name: (E)-but-2-enedioic acid; 7-(2-methylpropyl)-3-propan-2-ylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane]
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 7-(2-methylpropyl)-3-propan-2-yl-spiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane]
MOLECULAR FORMULA: C27H44N2O8
MOLECULAR WEIGHT: 524.64686
SMILES: CC(CN1CC2C3(C(C1)CN(C2)C(C)C)CCCCC3)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 150417-67-7
CAS Name: (10R)-N-[(E)-3-(2-amino-1H-imidazol-5-yl)prop-2-enyl]-7,9-dibromo-10-hydroxy-8-methoxy-4-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carboxamide
OPENEYE Name: (10R)-N-[(E)-3-(2-amino-1H-imidazol-5-yl)allyl]-7,9-dibromo-10-hydroxy-8-methoxy-4-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carboxamide
IUPAC Name: (10R)-N-[(E)-3-(2-amino-1H-imidazol-5-yl)prop-2-enyl]-7,9-dibromo-10-hydroxy-8-methoxy-4-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carboxamide
SYSTEMATIC NAME: (10R)-N-[(E)-3-(2-azanyl-1H-imidazol-5-yl)prop-2-enyl]-7,9-bis(bromanyl)-8-methoxy-10-oxidanyl-4-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carboxamide
MOLECULAR FORMULA: C16H17Br2N5O4
MOLECULAR WEIGHT: 503.14528
SMILES: COC1=C([C@@H](C2(CC(=NO2)C(=O)NC/C=C/C3=CN=C(N3)N)C=C1Br)O)Br
Structure:
CAS RN: 150135-35-6
CAS Name: (E)-2-methyl-2-butenoic acid [(9R,10R)-9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f][1]benzopyran-10-yl] ester
OPENEYE Name: [(9R,10R)-9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (E)-2-methylbut-2-enoate
IUPAC Name: [(9R,10R)-9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (E)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(9R,10R)-8,8-dimethyl-9-oxidanyl-2-oxidanylidene-9,10-dihydropyrano[2,3-f]chromen-10-yl] (E)-2-methylbut-2-enoate
MOLECULAR FORMULA: C19H20O6
MOLECULAR WEIGHT: 344.3585
SMILES: C/C=C(\C)/C(=O)O[C@H]1[C@H](C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)O
Structure:
CAS RN: 149779-40-8
CAS Name: 4-[[2-[(3E,5E)-2,8-dihydroxy-7-methyldeca-3,5-dienyl]-1,6,8-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-oxomethyl]-5-hydroxy-1,2-dihydropyrrol-3-one
OPENEYE Name: 4-[2-[(3E,5E)-2,8-dihydroxy-7-methyl-deca-3,5-dienyl]-1,6,8-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalene-1-carbonyl]-5-hydroxy-1,2-dihydropyrrol-3-one
IUPAC Name: 4-[2-[(3E,5E)-2,8-dihydroxy-7-methyldeca-3,5-dienyl]-1,6,8-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalene-1-carbonyl]-5-hydroxy-1,2-dihydropyrrol-3-one
SYSTEMATIC NAME: 5-oxidanyl-4-[[1,6,8-trimethyl-2-[(3E,5E)-7-methyl-2,8-bis(oxidanyl)deca-3,5-dienyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]carbonyl]-1,2-dihydropyrrol-3-one
MOLECULAR FORMULA: C29H43NO5
MOLECULAR WEIGHT: 485.65542
SMILES: CCC(C(C)/C=C/C=C/C(CC1C=CC2CC(CC(C2C1(C)C(=O)C3=C(NCC3=O)O)C)C)O)O
Structure:
CAS RN: 149779-39-5
CAS Name: 4-[[2-[(3E,5E)-2,8-dihydroxy-7-methyldeca-3,5-dienyl]-1,6,8-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-oxomethyl]-5-hydroxy-2-methoxy-1,2-dihydropyrrol-3-one
OPENEYE Name: 4-[2-[(3E,5E)-2,8-dihydroxy-7-methyl-deca-3,5-dienyl]-1,6,8-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalene-1-carbonyl]-5-hydroxy-2-methoxy-1,2-dihydropyrrol-3-one
IUPAC Name: 4-[2-[(3E,5E)-2,8-dihydroxy-7-methyldeca-3,5-dienyl]-1,6,8-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalene-1-carbonyl]-5-hydroxy-2-methoxy-1,2-dihydropyrrol-3-one
SYSTEMATIC NAME: 2-methoxy-5-oxidanyl-4-[[1,6,8-trimethyl-2-[(3E,5E)-7-methyl-2,8-bis(oxidanyl)deca-3,5-dienyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]carbonyl]-1,2-dihydropyrrol-3-one
MOLECULAR FORMULA: C30H45NO6
MOLECULAR WEIGHT: 515.6814
SMILES: CCC(C(C)/C=C/C=C/C(CC1C=CC2CC(CC(C2C1(C)C(=O)C3=C(NC(C3=O)OC)O)C)C)O)O
Structure:
CAS RN: 149633-56-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H28O3
MOLECULAR WEIGHT: 316.43452
SMILES: CCC1C2CC3C(C2/C=C/C/C=C/C/C=C\CCCC(=O)O1)O3
Structure:
CAS RN: 149420-78-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H62N4O12
MOLECULAR WEIGHT: 850.99338
SMILES: CC1CC/C=C\C2=NC(=CO2)C3=NC(=CO3)C4=NC(=CO4)C(C(C(=O)/C=C/CC(CC(=O)OC1CC(C(C)CCC(=O)C(C)C(C(C)/C=C/N(C)C=O)OC)OC)O)C)OC
Structure:
CAS RN: 149420-77-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C44H60N4O13
MOLECULAR WEIGHT: 852.9662
SMILES: CC1C(C/C=C\C2=NC(=CO2)C3=NC(=CO3)C4=NC(=CO4)C(C(C(=O)/C=C/CC(CC(=O)OC1CC(C(C)CCC(=O)C(C)C(C/C=C/N(C)C=O)OC)OC)O)C)OC)O
Structure:
CAS RN: 149420-76-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C44H62N4O13
MOLECULAR WEIGHT: 854.98208
SMILES: CC1CC/C=C\C2=NC(=CO2)C3=NC(=CO3)C4=NC(=CO4)C(C(C(=O)CC(CC(CC(=O)OC1CC(C(C)CCC(=O)C(C)C(C/C=C/N(C)C=O)OC)OC)O)O)C)OC
Structure:
CAS RN: 148832-05-7
CAS Name: 1-[2-[(4-bromophenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
OPENEYE Name: 1-[2-[(4-bromophenyl)-phenyl-methoxy]ethyl]-4-[(E)-cinnamyl]piperazine
IUPAC Name: 1-[2-[(4-bromophenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SYSTEMATIC NAME: 1-[2-[(4-bromophenyl)-phenyl-methoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
MOLECULAR FORMULA: C28H31BrN2O
MOLECULAR WEIGHT: 491.46254
SMILES: C1CN(CCN1CCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Br)C/C=C/C4=CC=CC=C4
Structure:
CAS RN: 148832-04-6
CAS Name: 1-[2-[(4-iodophenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
OPENEYE Name: 1-[(E)-cinnamyl]-4-[2-[(4-iodophenyl)-phenyl-methoxy]ethyl]piperazine
IUPAC Name: 1-[2-[(4-iodophenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SYSTEMATIC NAME: 1-[2-[(4-iodophenyl)-phenyl-methoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
MOLECULAR FORMULA: C28H31IN2O
MOLECULAR WEIGHT: 538.46301
SMILES: C1CN(CCN1CCOC(C2=CC=CC=C2)C3=CC=C(C=C3)I)C/C=C/C4=CC=CC=C4
Structure:
CAS RN: 148796-52-5
CAS Name: (Z)-4-[(E)-hexadec-2-en-7-yl]oxy-2-methyl-4-oxo-2-butenoic acid
OPENEYE Name: (Z)-4-[1-[(E)-hex-4-enyl]decoxy]-2-methyl-4-oxo-but-2-enoic acid
IUPAC Name: (Z)-4-[(E)-hexadec-2-en-7-yl]oxy-2-methyl-4-oxobut-2-enoic acid
SYSTEMATIC NAME: (Z)-4-[(E)-hexadec-2-en-7-yl]oxy-2-methyl-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C21H36O4
MOLECULAR WEIGHT: 352.50814
SMILES: CCCCCCCCCC(CCC/C=C/C)OC(=O)/C=C(/C)\C(=O)O
Structure:
CAS RN: 148504-47-6
CAS Name: (5Z,7E,22E,24Z,32E,34Z,36Z)-3,9,11,13,17,19,21,27,31,39,41,49,51,57,59-pentadecahydroxy-53-[(1E,3E)-8-[5-hydroxy-2-(methylthio)-3,6-dioxo-1-cyclohexa-1,4-dienyl]-8-methoxy-5-methylocta-1,3-dienyl]-2,4,8,10,14,44,60-heptamethyl-54,61-dioxabicyclo[55.3.1]he
OPENEYE Name: (5Z,7E,22E,24Z,32E,34Z,36Z)-3,9,11,13,17,19,21,27,31,39,41,49,51,57,59-pentadecahydroxy-53-[(1E,3E)-8-(5-hydroxy-2-methylsulfanyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)-8-methoxy-5-methyl-octa-1,3-dienyl]-2,4,8,10,14,44,60-heptamethyl-54,61-dioxabicyclo[55.3.
IUPAC Name: (5Z,7E,22E,24Z,32E,34Z,36Z)-3,9,11,13,17,19,21,27,31,39,41,49,51,57,59-pentadecahydroxy-53-[(1E,3E)-8-(5-hydroxy-2-methylsulfanyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-8-methoxy-5-methylocta-1,3-dienyl]-2,4,8,10,14,44,60-heptamethyl-54,61-dioxabicyclo[55.3.1]
SYSTEMATIC NAME: (5Z,7E,22E,24Z,32E,34Z,36Z)-53-[(1E,3E)-8-methoxy-5-methyl-8-[2-methylsulfanyl-5-oxidanyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]octa-1,3-dienyl]-2,4,8,10,14,44,60-heptamethyl-3,9,11,13,17,19,21,27,31,39,41,49,51,57,59-pentadecakis(oxidanyl)-54,61-
MOLECULAR FORMULA: C83H132O23S
MOLECULAR WEIGHT: 1529.98738
SMILES: CC1CCCCC(CC(CC(OC(=O)CC2(CC(C(C(O2)C(C(C(/C=C\C=C(\C(C(C(CC(C(CCC(CC(CC(/C=C/C=C\CC(CC(=O)CC(/C=C/C=C\C=C/CC(CC(CC1)O)O)O)O)O)O)O)C)O)O)C)O)/C)C)O)C)C)O)O)/C=C/C=C/C(C)CCC(C3=C(C(=O)C=C(C3=O)O)SC)OC)O)O
Structure:
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