CAS RN: 56197-06-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C39H58O10
MOLECULAR WEIGHT: 686.87182
SMILES: CCCCC(C)C(=O)OC1C(C(OC2(C1O)CC3CC(O2)C/C=C(/CC(/C=C/C=C/4\COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)\C)CC)C
Structure:
CAS RN: 70411-23-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C39H58O10
MOLECULAR WEIGHT: 686.87182
SMILES: CCCCC(C)C(=O)OC1C(C(OC2(C1O)CC3CC(O2)C/C=C(/CC(/C=C/C=C/4\COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)\C)CC)C
Structure:
CAS RN: 56164-07-9
CAS Name: acetic acid [(2R,12Z,15Z)-2-hydroxy-4-oxoheneicosa-12,15-dienyl] ester
OPENEYE Name: [(2R,12Z,15Z)-2-hydroxy-4-oxo-henicosa-12,15-dienyl] acetate
IUPAC Name: [(2R,12Z,15Z)-2-hydroxy-4-oxohenicosa-12,15-dienyl] acetate
SYSTEMATIC NAME: [(2R,12Z,15Z)-2-oxidanyl-4-oxidanylidene-henicosa-12,15-dienyl] ethanoate
MOLECULAR FORMULA: C23H40O4
MOLECULAR WEIGHT: 380.5613
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)C[C@H](COC(=O)C)O
Structure:
CAS RN: 55609-21-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H51N5O5
MOLECULAR WEIGHT: 597.78854
SMILES: CC[C@H](C)[C@H]1C(=O)N/C=C\C2=CC=C(C=C2)O[C@H]3CCN([C@@H]3C(=O)N1)C(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)N(C)C
Structure:
CAS RN: 55537-54-7
CAS Name: (2E,4E)-9-cyclohexyl-3,7-dimethylnona-2,4-dienoic acid ethyl ester
OPENEYE Name: ethyl (2E,4E)-9-cyclohexyl-3,7-dimethyl-nona-2,4-dienoate
IUPAC Name: ethyl (2E,4E)-9-cyclohexyl-3,7-dimethylnona-2,4-dienoate
SYSTEMATIC NAME: ethyl (2E,4E)-9-cyclohexyl-3,7-dimethyl-nona-2,4-dienoate
MOLECULAR FORMULA: C19H32O2
MOLECULAR WEIGHT: 292.45618
SMILES: CCOC(=O)/C=C(\C)/C=C/CC(C)CCC1CCCCC1
Structure:
CAS RN: 55333-14-7
CAS Name: (2E,6E)-3,7-diethyl-9-[(2R,3S)-3-ethyl-3-methyl-2-oxiranyl]nona-2,6-dienoic acid methyl ester
OPENEYE Name: methyl (2E,6E)-3,7-diethyl-9-[(2R,3S)-3-ethyl-3-methyl-oxiran-2-yl]nona-2,6-dienoate
IUPAC Name: methyl (2E,6E)-3,7-diethyl-9-[(2R,3S)-3-ethyl-3-methyloxiran-2-yl]nona-2,6-dienoate
SYSTEMATIC NAME: methyl (2E,6E)-3,7-diethyl-9-[(2R,3S)-3-ethyl-3-methyl-oxiran-2-yl]nona-2,6-dienoate
MOLECULAR FORMULA: C19H32O3
MOLECULAR WEIGHT: 308.45558
SMILES: CC/C(=C\CC/C(=C/C(=O)OC)/CC)/CC[C@@H]1[C@](O1)(C)CC
Structure:
CAS RN: 54990-68-0
CAS Name: 7-[(E)-5-[(1S,3R)-3-hydroxy-2,2-dimethyl-6-methylenecyclohexyl]-3-methylpent-2-enoxy]-1-benzopyran-2-one
OPENEYE Name: 7-[(E)-5-[(1S,3R)-3-hydroxy-2,2-dimethyl-6-methylene-cyclohexyl]-3-methyl-pent-2-enoxy]chromen-2-one
IUPAC Name: 7-[(E)-5-[(1S,3R)-3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-2-enoxy]chromen-2-one
SYSTEMATIC NAME: 7-[(E)-5-[(1S,3R)-2,2-dimethyl-6-methylidene-3-oxidanyl-cyclohexyl]-3-methyl-pent-2-enoxy]chromen-2-one
MOLECULAR FORMULA: C24H30O4
MOLECULAR WEIGHT: 382.4926
SMILES: C/C(=C\COC1=CC2=C(C=C1)C=CC(=O)O2)/CC[C@H]3C(=C)CC[C@H](C3(C)C)O
Structure:
CAS RN: 54797-23-8
CAS Name: N-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide
OPENEYE Name: N-[(E)-2-(4-methoxyphenyl)vinyl]benzamide
IUPAC Name: N-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide
SYSTEMATIC NAME: N-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide
MOLECULAR FORMULA: C16H15NO2
MOLECULAR WEIGHT: 253.2958
SMILES: COC1=CC=C(C=C1)/C=C/NC(=O)C2=CC=CC=C2
Structure:
CAS RN: 54369-12-9
CAS Name: acetic acid [(1S,3R)-3-hydroxy-4-[(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,3S,6S)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenylidene]-3,5,5-trimethylcyclohexyl] ester
OPENEYE Name: [(1S,3R)-3-hydroxy-4-[(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,3S,6S)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenylidene]-3,5,5-trimethyl-cyclohexyl] acetate
IUPAC Name: [(1S,3R)-3-hydroxy-4-[(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,3S,6S)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenylidene]-3,5,5-trimethylcyclohexyl] acetate
SYSTEMATIC NAME: [(1S,5R)-3,3,5-trimethyl-5-oxidanyl-4-[(3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R,3S,6S)-1,5,5-trimethyl-3-oxidanyl-7-oxabicyclo[4.1.0]heptan-6-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenylidene]cyclohexyl] ethanoate
MOLECULAR FORMULA: C42H58O5
MOLECULAR WEIGHT: 642.90692
SMILES: C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C=C1[C@](C[C@H](CC1(C)C)OC(=O)C)(C)O)/C=C/C=C(\C)/C=C/[C@]23[C@](O2)(C[C@H](CC3(C)C)O)C
Structure:
CAS RN: 53915-41-6
CAS Name: 2-[(1R,3E,7E,11E)-4,8,12-trimethyl-1-cyclotetradeca-3,7,11-trienyl]-2-propanol
OPENEYE Name: 2-[(1R,3E,7E,11E)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]propan-2-ol
IUPAC Name: 2-[(1R,3E,7E,11E)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]propan-2-ol
SYSTEMATIC NAME: 2-[(1R,3E,7E,11E)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]propan-2-ol
MOLECULAR FORMULA: C20H34O
MOLECULAR WEIGHT: 290.48336
SMILES: C/C/1=C\CC/C(=C/C[C@@H](CC/C(=C/CC1)/C)C(C)(C)O)/C
Structure:
CAS RN: 53901-55-6
CAS Name: 2-[[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid
OPENEYE Name: 2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]benzoic acid
IUPAC Name: 2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]benzoic acid
SYSTEMATIC NAME: 2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]benzoic acid
MOLECULAR FORMULA: C16H13NO4
MOLECULAR WEIGHT: 283.27872
SMILES: C1=CC=C(C(=C1)C(=O)O)NC(=O)/C=C/C2=CC=C(C=C2)O
Structure:
CAS RN: 53526-66-2
CAS Name: (1S,4aR,6S,7R,7aS)-4a,7-dihydroxy-6-[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enoxy]-7-methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester
OPENEYE Name: methyl (1S,4aR,6S,7R,7aS)-4a,7-dihydroxy-6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
IUPAC Name: methyl (1S,4aR,6S,7R,7aS)-4a,7-dihydroxy-6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
SYSTEMATIC NAME: methyl (1S,4aR,6S,7R,7aS)-1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-7-methyl-4a,7-bis(oxidanyl)-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
MOLECULAR FORMULA: C27H34O14
MOLECULAR WEIGHT: 582.55046
SMILES: C[C@@]1([C@H](C[C@]2([C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)OC(=O)/C=C/C4=CC=C(C=C4)OC)O
Structure:
CAS RN: 52655-30-8
CAS Name: (3E,5E,7E,9E,11E)-heneicosa-1,3,5,7,9,11-hexaene
OPENEYE Name: (3E,5E,7E,9E,11E)-henicosa-1,3,5,7,9,11-hexaene
IUPAC Name: (3E,5E,7E,9E,11E)-henicosa-1,3,5,7,9,11-hexaene
SYSTEMATIC NAME: (3E,5E,7E,9E,11E)-henicosa-1,3,5,7,9,11-hexaene
MOLECULAR FORMULA: C21H32
MOLECULAR WEIGHT: 284.47878
SMILES: CCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C=C
Structure:
CAS RN: 29966-03-8
CAS Name: (E)-2-octadecenamide
OPENEYE Name: (E)-octadec-2-enamide
IUPAC Name: (E)-octadec-2-enamide
SYSTEMATIC NAME: (E)-octadec-2-enamide
MOLECULAR FORMULA: C18H35NO
MOLECULAR WEIGHT: 281.4766
SMILES: CCCCCCCCCCCCCCC/C=C/C(=O)N
Structure:
CAS RN: 29961-54-4
CAS Name: (2E,4E)-hexadeca-2,4-dienoic acid methyl ester
OPENEYE Name: methyl (2E,4E)-hexadeca-2,4-dienoate
IUPAC Name: methyl (2E,4E)-hexadeca-2,4-dienoate
SYSTEMATIC NAME: methyl (2E,4E)-hexadeca-2,4-dienoate
MOLECULAR FORMULA: C17H30O2
MOLECULAR WEIGHT: 266.4189
SMILES: CCCCCCCCCCC/C=C/C=C/C(=O)OC
Structure:
CAS RN: 29753-46-6
CAS Name: (6E,10E,12E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyl-2-dotriaconta-6,10,12,14,16,18,22,26,30-nonaenol
OPENEYE Name: (6E,10E,12E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,10,12,14,16,18,22,26,30-nonaen-2-ol
IUPAC Name: (6E,10E,12E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,10,12,14,16,18,22,26,30-nonaen-2-ol
SYSTEMATIC NAME: (6E,10E,12E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,10,12,14,16,18,22,26,30-nonaen-2-ol
MOLECULAR FORMULA: C40H64O
MOLECULAR WEIGHT: 560.93556
SMILES: CC(=CCC/C(=C/CC/C(=C/CC/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/CCCC(C)(C)O)/C)/C)/C)C
Structure:
CAS RN: 29623-28-7
CAS Name: (9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid
OPENEYE Name: (9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid
IUPAC Name: (9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid
SYSTEMATIC NAME: (9Z,11E,13S)-13-oxidanyloctadeca-9,11-dienoic acid
MOLECULAR FORMULA: C18H32O3
MOLECULAR WEIGHT: 296.44488
SMILES: CCCCC[C@@H](/C=C/C=C\CCCCCCCC(=O)O)O
Structure:
CAS RN: 5204-88-6
CAS Name: (9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid
OPENEYE Name: (9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid
IUPAC Name: (9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid
SYSTEMATIC NAME: (9Z,11E,13S)-13-oxidanyloctadeca-9,11-dienoic acid
MOLECULAR FORMULA: C18H32O3
MOLECULAR WEIGHT: 296.44488
SMILES: CCCCC[C@@H](/C=C/C=C\CCCCCCCC(=O)O)O
Structure:
CAS RN: 10219-69-9
CAS Name: (9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid
OPENEYE Name: (9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid
IUPAC Name: (9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid
SYSTEMATIC NAME: (9Z,11E,13S)-13-oxidanyloctadeca-9,11-dienoic acid
MOLECULAR FORMULA: C18H32O3
MOLECULAR WEIGHT: 296.44488
SMILES: CCCCC[C@@H](/C=C/C=C\CCCCCCCC(=O)O)O
Structure:
CAS RN: 28933-88-2
CAS Name: (2Z,4Z)-hexadeca-2,4-dienoic acid
OPENEYE Name: (2Z,4Z)-hexadeca-2,4-dienoic acid
IUPAC Name: (2Z,4Z)-hexadeca-2,4-dienoic acid
SYSTEMATIC NAME: (2Z,4Z)-hexadeca-2,4-dienoic acid
MOLECULAR FORMULA: C16H28O2
MOLECULAR WEIGHT: 252.39232
SMILES: CCCCCCCCCCC/C=C\C=C/C(=O)O
Structure:
CAS RN: 28759-01-5
CAS Name: 2-[(E)-heptadec-1-enyl]-6-hydroxybenzoic acid
OPENEYE Name: 2-[(E)-heptadec-1-enyl]-6-hydroxy-benzoic acid
IUPAC Name: 2-[(E)-heptadec-1-enyl]-6-hydroxybenzoic acid
SYSTEMATIC NAME: 2-[(E)-heptadec-1-enyl]-6-oxidanyl-benzoic acid
MOLECULAR FORMULA: C24H38O3
MOLECULAR WEIGHT: 374.55672
SMILES: CCCCCCCCCCCCCCC/C=C/C1=C(C(=CC=C1)O)C(=O)O
Structure:
CAS RN: 28689-10-3
CAS Name: (E)-3-(2,5-dimethoxyphenyl)-2-propenoic acid methyl ester
OPENEYE Name: methyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
IUPAC Name: methyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: methyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C12H14O4
MOLECULAR WEIGHT: 222.23716
SMILES: COC1=CC(=C(C=C1)OC)/C=C/C(=O)OC
Structure:
CAS RN: 28527-89-1
CAS Name: heptanoic acid [(10E,12Z)-hexadeca-10,12-dienyl] ester
OPENEYE Name: [(10E,12Z)-hexadeca-10,12-dienyl] heptanoate
IUPAC Name: [(10E,12Z)-hexadeca-10,12-dienyl] heptanoate
SYSTEMATIC NAME: [(10E,12Z)-hexadeca-10,12-dienyl] heptanoate
MOLECULAR FORMULA: C23H42O2
MOLECULAR WEIGHT: 350.57838
SMILES: CCCCCCC(=O)OCCCCCCCCC/C=C/C=C\CCC
Structure:
CAS RN: 24738-51-0
CAS Name: (2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide
OPENEYE Name: (2E,4E)-N-isobutyldodeca-2,4-dienamide
IUPAC Name: (2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide
SYSTEMATIC NAME: (2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide
MOLECULAR FORMULA: C16H29NO
MOLECULAR WEIGHT: 251.40756
SMILES: CCCCCCC/C=C/C=C/C(=O)NCC(C)C
Structure:
CAS RN: 24480-42-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C39H46O10
MOLECULAR WEIGHT: 674.77654
SMILES: CC1=C2C(CC1C3=COC=C3)OC(CC4C2(C(C5C6C4(C(CC(C6(CO5)C)OC(=O)C)OC(=O)C)C)OC(=O)/C=C/C7=CC=CC=C7)C)O
Structure:
CAS RN: 24480-41-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C39H46O8
MOLECULAR WEIGHT: 642.77774
SMILES: CC(=O)OC1CC(C2(C3CCC4(C(CC=C4C3(C(C5C2C1(CO5)C)OC(=O)/C=C/C6=CC=CC=C6)C)C7=COC=C7)C)C)OC(=O)C
Structure:
CAS RN: 24443-11-6
CAS Name: (E)-3-chloro-2-methyl-2-propenal
OPENEYE Name: (E)-3-chloro-2-methyl-prop-2-enal
IUPAC Name: (E)-3-chloro-2-methylprop-2-enal
SYSTEMATIC NAME: (E)-3-chloranyl-2-methyl-prop-2-enal
MOLECULAR FORMULA: C4H5ClO
MOLECULAR WEIGHT: 104.5349
SMILES: C/C(=C\Cl)/C=O
Structure:
CAS RN: 23180-59-8
CAS Name: (2E,8Z)-deca-2,8-dien-4,6-diynoic acid methyl ester
OPENEYE Name: methyl (2E,8Z)-deca-2,8-dien-4,6-diynoate
IUPAC Name: methyl (2E,8Z)-deca-2,8-dien-4,6-diynoate
SYSTEMATIC NAME: methyl (2E,8Z)-deca-2,8-dien-4,6-diynoate
MOLECULAR FORMULA: C11H10O2
MOLECULAR WEIGHT: 174.1959
SMILES: C/C=C\C#CC#C/C=C/C(=O)OC
Structure:
CAS RN: 24381-55-3
CAS Name: (E)-2-butenedioic acid; N-[2-(diethylamino)ethyl]-2-hydroxybenzamide
OPENEYE Name: N-[2-(diethylamino)ethyl]-2-hydroxy-benzamide; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; N-[2-(diethylamino)ethyl]-2-hydroxybenzamide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N-[2-(diethylamino)ethyl]-2-oxidanyl-benzamide
MOLECULAR FORMULA: C17H24N2O6
MOLECULAR WEIGHT: 352.38226
SMILES: CCN(CC)CCNC(=O)C1=CC=CC=C1O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 96563-05-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H46O9
MOLECULAR WEIGHT: 574.70224
SMILES: CC\1CC(C23CC(C(C(O2)C(C)CCC(C4=CC(=CC=C4)O)OC)C)OC(=O)CC(OC(=O)/C=C1\O3)C(C)O)(C)C
Structure:
CAS RN: 96313-95-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H28O8
MOLECULAR WEIGHT: 420.45292
SMILES: CC(=O)O[C@@H]1[C@H]2[C@@H]\3[C@H](O[C@H]2O[C@H]1OC(=O)C)OC(=O)/C3=C\C=C\4/CCCC(C4)(C)C
Structure:
CAS RN: 96304-70-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H39N3O2
MOLECULAR WEIGHT: 437.61746
SMILES: CC(C)C1C(=O)NC(CC2=CN(C3=C2C(=CC=C3)N1C)C/C=C(\C)/CCC=C(C)C)CO
Structure:
CAS RN: 95098-07-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C31H44O10
MOLECULAR WEIGHT: 576.67506
SMILES: CC1C2CC3(C(CC(/C(=C/C(=O)OC(CC(=O)O2)CO)/O3)(C)O)(C)C)OC1C(C)CCC(C4=CC(=CC=C4)O)OC
Structure:
CAS RN: 95044-70-5
CAS Name: (1R,2R,4S,5S)-4-bromo-1,2-dichloro-5-[(E)-2-chloroethenyl]-1,5-dimethylcyclohexane
OPENEYE Name: (1R,2R,4S,5S)-4-bromo-1,2-dichloro-5-[(E)-2-chlorovinyl]-1,5-dimethyl-cyclohexane
IUPAC Name: (1R,2R,4S,5S)-4-bromo-1,2-dichloro-5-[(E)-2-chloroethenyl]-1,5-dimethylcyclohexane
SYSTEMATIC NAME: (1R,2R,4S,5S)-4-bromanyl-1,2-bis(chloranyl)-5-[(E)-2-chloranylethenyl]-1,5-dimethyl-cyclohexane
MOLECULAR FORMULA: C10H14BrCl3
MOLECULAR WEIGHT: 320.48116
SMILES: C[C@]1(C[C@@]([C@@H](C[C@@H]1Br)Cl)(C)Cl)/C=C/Cl
Structure:
CAS RN: 94705-97-2
CAS Name: (3E,5E,7E,9E,11E,13E,15E,17E)-1-[(1S,4S)-1,4-dihydroxy-2,2-dimethyl-6-methylenecyclohexyl]-18-[(1R,4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl]-3,7,12,16-tetramethyl-2-octadeca-3,5,7,9,11,13,15,17-octaenone
OPENEYE Name: (3E,5E,7E,9E,11E,13E,15E,17E)-1-[(1S,4S)-1,4-dihydroxy-2,2-dimethyl-6-methylene-cyclohexyl]-18-[(1R,4R)-4-hydroxy-2,6,6-trimethyl-cyclohex-2-en-1-yl]-3,7,12,16-tetramethyl-octadeca-3,5,7,9,11,13,15,17-octaen-2-one
IUPAC Name: (3E,5E,7E,9E,11E,13E,15E,17E)-1-[(1S,4S)-1,4-dihydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one
SYSTEMATIC NAME: (3E,5E,7E,9E,11E,13E,15E,17E)-1-[(1S,4S)-2,2-dimethyl-6-methylidene-1,4-bis(oxidanyl)cyclohexyl]-3,7,12,16-tetramethyl-18-[(1R,4R)-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-2-one
MOLECULAR FORMULA: C40H56O4
MOLECULAR WEIGHT: 600.87024
SMILES: CC1=C[C@@H](CC([C@H]1/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)C[C@]2(C(=C)C[C@H](CC2(C)C)O)O)/C)/C)(C)C)O
Structure:
CAS RN: 94130-58-2
CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxymethyl]-3-oxanyl] ester
OPENEYE Name: [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-[[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-e
IUPAC Name: [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2R,3R,4R,5R,6R)-6-[2-[3,4-bis(oxidanyl)phenyl]ethoxy]-4-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-2-[[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate
MOLECULAR FORMULA: C34H44O19
MOLECULAR WEIGHT: 756.70176
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O
Structure:
CAS RN: 94130-57-1
CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid [5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]-2-[(3,4,5-trihydroxy-2-oxanyl)oxymethyl]-3-oxanyl] ester
OPENEYE Name: [5-acetoxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2-[(3,4,5-trihydroxytetrahydropyran-2-yl)oxymethyl]tetrahydropyran-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
IUPAC Name: [5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [5-acetyloxy-6-[2-[3,4-bis(oxidanyl)phenyl]ethoxy]-4-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[[3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate
MOLECULAR FORMULA: C36H46O20
MOLECULAR WEIGHT: 798.73844
SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C)OCCC3=CC(=C(C=C3)O)O)COC4C(C(C(CO4)O)O)O)OC(=O)/C=C/C5=CC(=C(C=C5)O)O)O)O)O
Structure:
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