CAS RN: 130640-33-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H19NO8
MOLECULAR WEIGHT: 521.47376
SMILES: CC1C(=C(C2C#C/C=C\C#CC3C14C2(O4)C5=CC(=C6C(=C5N3)C(=O)C7=C(C6=O)C=CC=C7O)O)OC)C(=O)O
Structure:
CAS RN: 130507-23-2
CAS Name: (E)-N-butyl-2-[[(1R,2S)-3-cyclohexyl-1-hydroxy-2-[[(2S)-1-[[(2S)-2-[[3-(3-hydroxy-4-iodophenyl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]propyl]amino]-4-hexenamide
OPENEYE Name: (E)-N-butyl-2-[[(1R,2S)-3-cyclohexyl-1-hydroxy-2-[[(1S)-2-[[(2S)-2-[3-(3-hydroxy-4-iodo-phenyl)propanoylamino]-3-phenyl-propanoyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]propyl]amino]hex-4-enamide
IUPAC Name: (E)-N-butyl-2-[[(1R,2S)-3-cyclohexyl-1-hydroxy-2-[[(2S)-1-[[(2S)-2-[3-(3-hydroxy-4-iodophenyl)propanoylamino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]propyl]amino]hex-4-enamide
SYSTEMATIC NAME: (E)-N-butyl-2-[[(1R,2S)-3-cyclohexyl-2-[[(2S)-3-(1H-imidazol-5-yl)-1-[[(2S)-2-[3-(4-iodanyl-3-oxidanyl-phenyl)propanoylamino]-3-phenyl-propanoyl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanyl-propyl]amino]hex-4-enamide
MOLECULAR FORMULA: C43H60IN7O6
MOLECULAR WEIGHT: 897.88427
SMILES: CCCCNC(=O)C(C/C=C/C)N[C@@H]([C@H](CC1CCCCC1)N[C@@H](CC2=CN=CN2)C(=O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CCC4=CC(=C(C=C4)I)O)O
Structure:
CAS RN: 128808-63-9
CAS Name: (6Z,10Z)-3-[[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-15-butan-2-yl-19,25,27,29-tetrahydroxy-17,21-dioxo-16,31-dioxabicyclo[25.3.1]hentriaconta-4,6,8,10,12-pentaene-30-carboxylic acid
OPENEYE Name: (6Z,10Z)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-19,25,27,29-tetrahydroxy-17,21-dioxo-15-sec-butyl-16,31-dioxabicyclo[25.3.1]hentriaconta-4,6,8,10,12-pentaene-30-carboxylic acid
IUPAC Name: (6Z,10Z)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-15-butan-2-yl-19,25,27,29-tetrahydroxy-17,21-dioxo-16,31-dioxabicyclo[25.3.1]hentriaconta-4,6,8,10,12-pentaene-30-carboxylic acid
SYSTEMATIC NAME: (6Z,10Z)-3-[(2R,3S,4S,5S,6R)-4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-15-butan-2-yl-19,25,27,29-tetrakis(oxidanyl)-17,21-bis(oxidanylidene)-16,31-dioxabicyclo[25.3.1]hentriaconta-4,6,8,10,12-pentaene-30-carboxylic acid
MOLECULAR FORMULA: C40H61NO14
MOLECULAR WEIGHT: 779.91064
SMILES: CCC(C)C1CC=C/C=C\C=C/C=C\C=CC(CC2C(C(CC(O2)(CC(CCCC(=O)CC(CC(=O)O1)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O
Structure:
CAS RN: 130433-02-2
CAS Name: (6Z,10Z)-3-[[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-15-butan-2-yl-19,25,27,29-tetrahydroxy-17,21-dioxo-16,31-dioxabicyclo[25.3.1]hentriaconta-4,6,8,10,12-pentaene-30-carboxylic acid
OPENEYE Name: (6Z,10Z)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-19,25,27,29-tetrahydroxy-17,21-dioxo-15-sec-butyl-16,31-dioxabicyclo[25.3.1]hentriaconta-4,6,8,10,12-pentaene-30-carboxylic acid
IUPAC Name: (6Z,10Z)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-15-butan-2-yl-19,25,27,29-tetrahydroxy-17,21-dioxo-16,31-dioxabicyclo[25.3.1]hentriaconta-4,6,8,10,12-pentaene-30-carboxylic acid
SYSTEMATIC NAME: (6Z,10Z)-3-[(2R,3S,4S,5S,6R)-4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-15-butan-2-yl-19,25,27,29-tetrakis(oxidanyl)-17,21-bis(oxidanylidene)-16,31-dioxabicyclo[25.3.1]hentriaconta-4,6,8,10,12-pentaene-30-carboxylic acid
MOLECULAR FORMULA: C40H61NO14
MOLECULAR WEIGHT: 779.91064
SMILES: CCC(C)C1CC=C/C=C\C=C/C=C\C=CC(CC2C(C(CC(O2)(CC(CCCC(=O)CC(CC(=O)O1)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O
Structure:
CAS RN: 128808-62-8
CAS Name: (6Z,10Z)-3-[[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-15-butan-2-yl-19,24,25,27,29-pentahydroxy-17,21-dioxo-16,31-dioxabicyclo[25.3.1]hentriaconta-4,6,8,10,12-pentaene-30-carboxylic acid
OPENEYE Name: (6Z,10Z)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-19,24,25,27,29-pentahydroxy-17,21-dioxo-15-sec-butyl-16,31-dioxabicyclo[25.3.1]hentriaconta-4,6,8,10,12-pentaene-30-carboxylic acid
IUPAC Name: (6Z,10Z)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-15-butan-2-yl-19,24,25,27,29-pentahydroxy-17,21-dioxo-16,31-dioxabicyclo[25.3.1]hentriaconta-4,6,8,10,12-pentaene-30-carboxylic acid
SYSTEMATIC NAME: (6Z,10Z)-3-[(2R,3S,4S,5S,6R)-4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-15-butan-2-yl-19,24,25,27,29-pentakis(oxidanyl)-17,21-bis(oxidanylidene)-16,31-dioxabicyclo[25.3.1]hentriaconta-4,6,8,10,12-pentaene-30-carboxylic acid
MOLECULAR FORMULA: C40H61NO15
MOLECULAR WEIGHT: 795.91004
SMILES: CCC(C)C1CC=C/C=C\C=C/C=C\C=CC(CC2C(C(CC(O2)(CC(C(CCC(=O)CC(CC(=O)O1)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O
Structure:
CAS RN: 130433-01-1
CAS Name: (6Z,10Z)-3-[[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-15-butan-2-yl-19,24,25,27,29-pentahydroxy-17,21-dioxo-16,31-dioxabicyclo[25.3.1]hentriaconta-4,6,8,10,12-pentaene-30-carboxylic acid
OPENEYE Name: (6Z,10Z)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-19,24,25,27,29-pentahydroxy-17,21-dioxo-15-sec-butyl-16,31-dioxabicyclo[25.3.1]hentriaconta-4,6,8,10,12-pentaene-30-carboxylic acid
IUPAC Name: (6Z,10Z)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-15-butan-2-yl-19,24,25,27,29-pentahydroxy-17,21-dioxo-16,31-dioxabicyclo[25.3.1]hentriaconta-4,6,8,10,12-pentaene-30-carboxylic acid
SYSTEMATIC NAME: (6Z,10Z)-3-[(2R,3S,4S,5S,6R)-4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-15-butan-2-yl-19,24,25,27,29-pentakis(oxidanyl)-17,21-bis(oxidanylidene)-16,31-dioxabicyclo[25.3.1]hentriaconta-4,6,8,10,12-pentaene-30-carboxylic acid
MOLECULAR FORMULA: C40H61NO15
MOLECULAR WEIGHT: 795.91004
SMILES: CCC(C)C1CC=C/C=C\C=C/C=C\C=CC(CC2C(C(CC(O2)(CC(C(CCC(=O)CC(CC(=O)O1)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O
Structure:
CAS RN: 129724-46-5
CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [(3R,4R,5R,6S)-4,5-dihydroxy-6-[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexoxy]-3-oxanyl] ester
OPENEYE Name: [(3R,4R,5R,6S)-4,5-dihydroxy-6-[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxo-hexoxy]tetrahydropyran-3-yl] (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
IUPAC Name: [(3R,4R,5R,6S)-4,5-dihydroxy-6-[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexoxy]oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(3R,4R,5R,6S)-4,5-bis(oxidanyl)-6-[(2R,3R,4S,5R)-2,3,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexoxy]oxan-3-yl] (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate
MOLECULAR FORMULA: C21H28O13
MOLECULAR WEIGHT: 488.43922
SMILES: COC1=C(C=CC(=C1)/C=C/C(=O)O[C@@H]2CO[C@@H]([C@@H]([C@H]2O)O)OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O
Structure:
CAS RN: 129581-35-7
CAS Name: (E)-10-pentadecenoic acid 2,3-dihydroxypropyl ester
OPENEYE Name: 2,3-dihydroxypropyl (E)-pentadec-10-enoate
IUPAC Name: 2,3-dihydroxypropyl (E)-pentadec-10-enoate
SYSTEMATIC NAME: 2,3-bis(oxidanyl)propyl (E)-pentadec-10-enoate
MOLECULAR FORMULA: C18H34O4
MOLECULAR WEIGHT: 314.46016
SMILES: CCCC/C=C/CCCCCCCCC(=O)OCC(CO)O
Structure:
CAS RN: 129313-99-1
CAS Name: 1-[(E)-11-(3,5,7,9,19,23,25,27,31,33,34,35-dodecahydroxy-8,14,18,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-15-yl)-9-methyldodec-4-enyl]-2-methylguanidine
OPENEYE Name: 1-[(E)-11-(3,5,7,9,19,23,25,27,31,33,34,35-dodecahydroxy-8,14,18,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-15-yl)-9-methyl-dodec-4-enyl]-2-methyl-guanidine
IUPAC Name: 1-[(E)-11-(3,5,7,9,19,23,25,27,31,33,34,35-dodecahydroxy-8,14,18,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-15-yl)-9-methyldodec-4-enyl]-2-methylguanidine
SYSTEMATIC NAME: 1-[(E)-11-[8,14,18,22,26,30-hexamethyl-3,5,7,9,19,23,25,27,31,33,34,35-dodecakis(oxidanyl)-17-oxidanylidene-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-15-yl]-9-methyl-dodec-4-enyl]-2-methyl-guanidine
MOLECULAR FORMULA: C56H101N3O15
MOLECULAR WEIGHT: 1056.41224
SMILES: CC1CCC(C(C(CC(C(C=CC(C(C(=O)OC(C(C=CC=CC(C(C(CC(CC(CC2CC(C(C(O2)(CC1O)O)O)O)O)O)O)C)O)C)C(C)CC(C)CCC/C=C/CCCNC(=NC)N)C)O)C)O)O)C)O
Structure:
CAS RN: 129297-23-0
CAS Name: 2-[7-[(21E)-4,6,8,10,12,14,18,22,24,26,30,34,40,42-tetradecahydroxy-3,9,11,17,19,25,29,31,33,35,41-undecamethyl-48-oxo-27-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-oxacyclooctatetraconta-13,17,21,29-tetraen-2-yl]octyl]guanidine
OPENEYE Name: 2-[7-[(21E)-4,6,8,10,12,14,18,22,24,26,30,34,40,42-tetradecahydroxy-3,9,11,17,19,25,29,31,33,35,41-undecamethyl-48-oxo-27-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1-oxacyclooctatetraconta-13,17,21,29-tetraen-2-yl]octyl]
IUPAC Name: 2-[7-[(21E)-4,6,8,10,12,14,18,22,24,26,30,34,40,42-tetradecahydroxy-3,9,11,17,19,25,29,31,33,35,41-undecamethyl-48-oxo-27-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclooctatetraconta-13,17,21,29-tetraen-2-yl]octyl]guanidine
SYSTEMATIC NAME: 2-[7-[(21E)-27-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,9,11,17,19,25,29,31,33,35,41-undecamethyl-4,6,8,10,12,14,18,22,24,26,30,34,40,42-tetradecakis(oxidanyl)-48-oxidanylidene-1-oxacyclooctatetraconta-13,17,21,29-tetraen-2-
MOLECULAR FORMULA: C73H135N3O22
MOLECULAR WEIGHT: 1406.8599
SMILES: CC1CCCCC(C(C(CCCCCC(=O)OC(C(C(CC(CC(C(C(C(C(C=C(CCC(=C(C(C/C=C(\CC(C(C(C(CC(=C(C(CC(C1O)C)C)O)C)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)C)O)/O)C)O)C)O)O)C)O)C)O)O)O)C)C(C)CCCCCCN=C(N)N)O)C)O
Structure:
CAS RN: 129229-16-9
CAS Name: 3-methyl-2-[[(E)-4-methyl-2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxopent-2-enyl]amino]butanoic acid methyl ester
OPENEYE Name: methyl 2-[[(E)-2-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-4-methyl-pent-2-enoyl]amino]-3-methyl-butanoate
IUPAC Name: methyl 3-methyl-2-[[(E)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pent-2-enoyl]amino]butanoate
SYSTEMATIC NAME: methyl 3-methyl-2-[[(E)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]pent-2-enoyl]amino]butanoate
MOLECULAR FORMULA: C26H39N3O6
MOLECULAR WEIGHT: 489.60436
SMILES: CC(C)/C=C(\C(=O)NC(C(C)C)C(=O)OC)/NC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C
Structure:
CAS RN: 129177-01-1
CAS Name: (E)-11-methyl-12-octadecenoic acid
OPENEYE Name: (E)-11-methyloctadec-12-enoic acid
IUPAC Name: (E)-11-methyloctadec-12-enoic acid
SYSTEMATIC NAME: (E)-11-methyloctadec-12-enoic acid
MOLECULAR FORMULA: C19H36O2
MOLECULAR WEIGHT: 296.48794
SMILES: CCCCC/C=C/C(C)CCCCCCCCCC(=O)O
Structure:
CAS RN: 129163-95-7
CAS Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]-5-heptenoic acid [2-(4-azidophenyl)-2-oxoethyl] ester
OPENEYE Name: [2-(4-azidophenyl)-2-oxo-ethyl] (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoate
IUPAC Name: [2-(4-azidophenyl)-2-oxoethyl] (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoate
SYSTEMATIC NAME: [2-(4-azidophenyl)-2-oxidanylidene-ethyl] (Z)-7-[(1R,2R,3R)-3-oxidanyl-5-oxidanylidene-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoate
MOLECULAR FORMULA: C28H37N3O6
MOLECULAR WEIGHT: 511.60988
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)OCC(=O)C2=CC=C(C=C2)N=[N+]=[N-])O)O
Structure:
CAS RN: 129024-87-9
CAS Name: (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]docosa-4,7,10,13,16,19-hexaenamide
OPENEYE Name: (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]docosa-4,7,10,13,16,19-hexaenamide
IUPAC Name: (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]docosa-4,7,10,13,16,19-hexaenamide
SYSTEMATIC NAME: (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[3,4-bis(oxidanyl)phenyl]ethyl]docosa-4,7,10,13,16,19-hexaenamide
MOLECULAR FORMULA: C30H41NO3
MOLECULAR WEIGHT: 463.65144
SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCC1=CC(=C(C=C1)O)O
Structure:
CAS RN: 128988-15-8
CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid [4-[[4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]-2-oxanyl]oxy]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-3-oxanyl] ester
OPENEYE Name: [4-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
IUPAC Name: [4-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [6-[2-[3,4-bis(oxidanyl)phenyl]ethoxy]-2-(hydroxymethyl)-4-[6-methyl-3-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-3-yl] (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate
MOLECULAR FORMULA: C35H46O19
MOLECULAR WEIGHT: 770.72834
SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(OC(C3OC(=O)/C=C/C4=CC(=C(C=C4)O)O)CO)OCCC5=CC(=C(C=C5)O)O)O)C)O)O)O)O)O
Structure:
CAS RN: 128585-97-7
CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl] ester
OPENEYE Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate
MOLECULAR FORMULA: C21H28O13
MOLECULAR WEIGHT: 488.43922
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O)O)O)O)O
Structure:
CAS RN: 128443-10-7
CAS Name: N-[(E,2S,3R)-3-hydroxy-1-[[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]octadec-4-en-2-yl]tetracosanam
OPENEYE Name: N-[(E,1S,2R)-2-hydroxy-1-[[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxym
IUPAC Name: N-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoctadec-4-en-2-yl]tetracosanamide
SYSTEMATIC NAME: N-[(E,2S,3R)-1-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]tetrac
MOLECULAR FORMULA: C60H113NO18
MOLECULAR WEIGHT: 1136.53512
SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O
Structure:
CAS RN: 128376-90-9
CAS Name: N-[(E)-1-[[3,4-dihydroxy-5-[[5-hydroxy-6-(hydroxymethyl)-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-6-(hydroxymethyl)-2-oxanyl]oxy]-3-hydroxyoctadec-4-en-2-yl]tetracosanamide
OPENEYE Name: N-[(E)-1-[[3,4-dihydroxy-5-[5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-(3,4,5-trihydroxytetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-2-hydroxy-heptadec-
IUPAC Name: N-[(E)-1-[3,4-dihydroxy-5-[5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]tetracosanamide
SYSTEMATIC NAME: N-[(E)-1-[6-(hydroxymethyl)-5-[6-(hydroxymethyl)-4-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-3-[3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]tetracosanamide
MOLECULAR FORMULA: C65H121NO22
MOLECULAR WEIGHT: 1268.64974
SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(CO4)O)O)O)O)O)C(/C=C/CCCCCCCCCCCCC)O
Structure:
CAS RN: 128065-63-4
CAS Name: (Z)-18-hexacosenoic acid
OPENEYE Name: (Z)-hexacos-18-enoic acid
IUPAC Name: (Z)-hexacos-18-enoic acid
SYSTEMATIC NAME: (Z)-hexacos-18-enoic acid
MOLECULAR FORMULA: C26H50O2
MOLECULAR WEIGHT: 394.674
SMILES: CCCCCCC/C=C\CCCCCCCCCCCCCCCCC(=O)O
Structure:
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