CAS RN: 28957-04-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H28O6
MOLECULAR WEIGHT: 364.43272
SMILES: CC1(CCC(C23C1[C@@H]([C@](C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)O)C
Structure:
CAS RN: 6029-86-3
CAS Name: (2S,3R,4R)-3-hydroxy-2,4-dimethyl-5-oxo-3-oxolanecarboxylic acid [(7R)-7-[(Z)-2-methyl-1-oxobut-2-enoxy]-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl ester
OPENEYE Name: [(7R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S,3R,4R)-3-hydroxy-2,4-dimethyl-5-oxo-tetrahydrofuran-3-carboxylate
IUPAC Name: [(7R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S,3R,4R)-3-hydroxy-2,4-dimethyl-5-oxooxolane-3-carboxylate
SYSTEMATIC NAME: [(7R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S,3R,4R)-2,4-dimethyl-3-oxidanyl-5-oxidanylidene-oxolane-3-carboxylate
MOLECULAR FORMULA: C20H27NO7
MOLECULAR WEIGHT: 393.43088
SMILES: C/C=C(/C)\C(=O)O[C@@H]1CCN2C1C(=CC2)COC(=O)[C@]3([C@H](C(=O)O[C@H]3C)C)O
Structure:
CAS RN: 15436-59-6
CAS Name: 2-[(E)-hept-2-enyl]-3-methyl-1H-quinolin-4-one
OPENEYE Name: 2-[(E)-hept-2-enyl]-3-methyl-1H-quinolin-4-one
IUPAC Name: 2-[(E)-hept-2-enyl]-3-methyl-1H-quinolin-4-one
SYSTEMATIC NAME: 2-[(E)-hept-2-enyl]-3-methyl-1H-quinolin-4-one
MOLECULAR FORMULA: C17H21NO
MOLECULAR WEIGHT: 255.35474
SMILES: CCCC/C=C/CC1=C(C(=O)C2=CC=CC=C2N1)C
Structure:
CAS RN: 18457-46-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H46O10
MOLECULAR WEIGHT: 650.75514
SMILES: CC1=C2C(C(C3(C(CC(C2(C)C)CC1OC(=O)C)C(=C)C(CC3OC(=O)C)OC(=O)/C=C/C4=CC=CC=C4)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 152323-84-7
CAS Name: (2R)-4-[(2S)-9-[5-[1,4-dihydroxy-4-[5-(1-hydroxyundecyl)-2-oxolanyl]butyl]-2-oxolanyl]-2-hydroxynonyl]-2-methyl-2H-furan-5-one
OPENEYE Name: (2R)-4-[(2S)-9-[5-[1,4-dihydroxy-4-[5-(1-hydroxyundecyl)tetrahydrofuran-2-yl]butyl]tetrahydrofuran-2-yl]-2-hydroxy-nonyl]-2-methyl-2H-furan-5-one
IUPAC Name: (2R)-4-[(2S)-9-[5-[1,4-dihydroxy-4-[5-(1-hydroxyundecyl)oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxynonyl]-2-methyl-2H-furan-5-one
SYSTEMATIC NAME: (2R)-4-[(2S)-9-[5-[1,4-bis(oxidanyl)-4-[5-(1-oxidanylundecyl)oxolan-2-yl]butyl]oxolan-2-yl]-2-oxidanyl-nonyl]-2-methyl-2H-furan-5-one
MOLECULAR FORMULA: C37H66O8
MOLECULAR WEIGHT: 638.91514
SMILES: CCCCCCCCCCC(C1CCC(O1)C(CCC(C2CCC(O2)CCCCCCC[C@@H](CC3=C[C@H](OC3=O)C)O)O)O)O
Structure:
CAS RN: 128255-52-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H40O7
MOLECULAR WEIGHT: 500.6237
SMILES: C[C@H]1C2=CC(=O)[C@]3(C(C2C4C([C@@]15CCC(=O)O5)O4)CCC3[C@H](C)[C@H]6C[C@]7(C(O[C@](O6)(O7)C)(C)C)C)C
Structure:
CAS RN: 106644-31-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H28O4
MOLECULAR WEIGHT: 332.43392
SMILES: C[C@H]1C[C@H]2[C@H](C2(C)C)CC[C@@](/C=C\3/C(=O)C(=C[C@@]3(C1=O)O)C)(C)O
Structure:
CAS RN: 119308-98-4
CAS Name: 3-hydroxybutanoic acid [(11cS)-5-acetyloxy-9-methoxy-1-methyl-7-oxo-2,3,5,5a,11b,11c-hexahydro[2]benzopyrano[3,4-g]indol-10-yl] ester
OPENEYE Name: [(11cS)-5-acetoxy-9-methoxy-1-methyl-7-oxo-2,3,5,5a,11b,11c-hexahydroisochromeno[3,4-g]indol-10-yl] 3-hydroxybutanoate
IUPAC Name: [(11cS)-5-acetyloxy-9-methoxy-1-methyl-7-oxo-2,3,5,5a,11b,11c-hexahydroisochromeno[3,4-g]indol-10-yl] 3-hydroxybutanoate
SYSTEMATIC NAME: [(11cS)-5-acetyloxy-9-methoxy-1-methyl-7-oxidanylidene-2,3,5,5a,11b,11c-hexahydroisochromeno[3,4-g]indol-10-yl] 3-oxidanylbutanoate
MOLECULAR FORMULA: C23H27NO8
MOLECULAR WEIGHT: 445.46238
SMILES: CC(CC(=O)OC1=C(C=C2C(=C1)C3[C@H]4C(=CC(C3OC2=O)OC(=O)C)CCN4C)OC)O
Structure:
CAS RN: 106155-05-9
CAS Name: (1R,5S,10E)-1,6-dihydroxy-3-methoxy-2-methylene-10-propylidene-3-azaspiro[4.5]dec-8-ene-4,7-dione
OPENEYE Name: (1R,5S,10E)-1,6-dihydroxy-3-methoxy-2-methylene-10-propylidene-3-azaspiro[4.5]dec-8-ene-4,7-dione
IUPAC Name: (1R,5S,10E)-1,6-dihydroxy-3-methoxy-2-methylidene-10-propylidene-3-azaspiro[4.5]dec-8-ene-4,7-dione
SYSTEMATIC NAME: (1R,5S,10E)-3-methoxy-2-methylidene-1,6-bis(oxidanyl)-10-propylidene-3-azaspiro[4.5]dec-8-ene-4,7-dione
MOLECULAR FORMULA: C14H17NO5
MOLECULAR WEIGHT: 279.28848
SMILES: CC/C=C/1\C=CC(=O)C([C@@]12[C@H](C(=C)N(C2=O)OC)O)O
Structure:
CAS RN: 112923-53-2
CAS Name: (2S)-4-methylene-5-oxo-2-pentyl-3-oxolanecarboxylic acid
OPENEYE Name: (2S)-4-methylene-5-oxo-2-pentyl-tetrahydrofuran-3-carboxylic acid
IUPAC Name: (2S)-4-methylidene-5-oxo-2-pentyloxolane-3-carboxylic acid
SYSTEMATIC NAME: (2S)-4-methylidene-5-oxidanylidene-2-pentyl-oxolane-3-carboxylic acid
MOLECULAR FORMULA: C11H16O4
MOLECULAR WEIGHT: 212.24234
SMILES: CCCCC[C@H]1C(C(=C)C(=O)O1)C(=O)O
Structure:
CAS RN: 108885-68-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H46O14
MOLECULAR WEIGHT: 702.74204
SMILES: CC1C=C2[C@@]([C@H]3C1[C@@]4(C(C3OC(=O)C)[C@@H]5[C@H](C(=O)C6C[C@H]7[C@H](O7)C([C@@]6(C5C(C4OC(=O)C)OC(=O)C)C)OC(=O)C)O)C)([C@](C(=O)O2)(C)O)C
Structure:
CAS RN: 114420-67-6
CAS Name: (E)-3-(4-hydroxyphenyl)-2-propenoic acid [(2S)-3-acetyloxy-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]propyl] ester
OPENEYE Name: [(2S)-3-acetoxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-propyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
IUPAC Name: [(2S)-3-acetyloxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2S)-3-acetyloxy-2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-propyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C20H26O11
MOLECULAR WEIGHT: 442.41384
SMILES: CC(=O)OC[C@@H](COC(=O)/C=C/C1=CC=C(C=C1)O)OC2C(C(C(C(O2)CO)O)O)O
Structure:
CAS RN: 26121-56-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H28O6
MOLECULAR WEIGHT: 376.44342
SMILES: CC1CC(C(=O)[C@]2(C1CC3[C@@]4(C2C(=O)C(=C([C@@H]4CC(=O)O3)C)OC)C)C)O
Structure:
CAS RN: 20398-02-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H36N2O7
MOLECULAR WEIGHT: 620.69094
SMILES: CN1CCC2=CC3=C4C=C2[C@@H]1CC5=CC=C(C=C5)OC6=C7C(=CC(=C6)C[C@@H]8C9=C(CCN8C)C=C(C(=O)[C@]9(O4)CO3)OC)OCO7
Structure:
CAS RN: 40225-93-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H34N2O5
MOLECULAR WEIGHT: 562.65486
SMILES: CN1CCC2=CC(=C3C4=C2[C@H]1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)C[C@@H]7C8=CC(=C(O3)C=C8CCN7)O4)OC)OC
Structure:
CAS RN: 11021-81-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C39H44N2O8
MOLECULAR WEIGHT: 668.77526
SMILES: CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=C(C(=C5)C[C@H]6C7=C(CCN6C)C(=C(C(=C7O3)OC)OC)OC)O)OC)OC
Structure:
CAS RN: 122890-33-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C31H39N3O5
MOLECULAR WEIGHT: 533.65846
SMILES: CN1CCC2=CC(=C(C3=C2C1C[C@]34CC[C@]5([C@@H](C4)OC)C6=C(CCN5)C7=CC(=C(C=C7N6)OC)OC)O)OC
Structure:
CAS RN: 114420-66-5
CAS Name: (E)-3-(4-hydroxyphenyl)-2-propenoic acid [(2S)-2-hydroxy-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]propyl] ester
OPENEYE Name: [(2S)-2-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-propyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
IUPAC Name: [(2S)-2-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2S)-3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-propyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C18H24O10
MOLECULAR WEIGHT: 400.37716
SMILES: C1=CC(=CC=C1/C=C/C(=O)OC[C@H](COC2C(C(C(C(O2)CO)O)O)O)O)O
Structure:
CAS RN: 112926-20-2
CAS Name: (7S)-5,7,9,10-tetrahydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione
OPENEYE Name: (7S)-5,7,9,10-tetrahydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione
IUPAC Name: (7S)-5,7,9,10-tetrahydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione
SYSTEMATIC NAME: (7S)-2-methoxy-7-methyl-5,7,9,10-tetrakis(oxidanyl)-6,8-dihydro-5H-anthracene-1,4-dione
MOLECULAR FORMULA: C16H16O7
MOLECULAR WEIGHT: 320.29404
SMILES: C[C@]1(CC(C2=C(C3=C(C(=C2C1)O)C(=O)C(=CC3=O)OC)O)O)O
Structure:
CAS RN: 118984-42-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H22N2O4
MOLECULAR WEIGHT: 330.37828
SMILES: C[C@H]1[C@H](C2=C([C@H]3[C@@H]1C4=C([C@@H](O3)O)C(=O)NCC4)C(=O)NCC2)C=C
Structure:
CAS RN: 122898-63-9
CAS Name: 5-[(E)-5-[(1S)-2,2-dimethyl-6-methylenecyclohexyl]-3-methylpent-2-enyl]-1-phenazinone
OPENEYE Name: 5-[(E)-5-[(1S)-2,2-dimethyl-6-methylene-cyclohexyl]-3-methyl-pent-2-enyl]phenazin-1-one
IUPAC Name: 5-[(E)-5-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-2-enyl]phenazin-1-one
SYSTEMATIC NAME: 5-[(E)-5-[(1S)-2,2-dimethyl-6-methylidene-cyclohexyl]-3-methyl-pent-2-enyl]phenazin-1-one
MOLECULAR FORMULA: C27H32N2O
MOLECULAR WEIGHT: 400.55578
SMILES: C/C(=C\CN1C2=CC=CC=C2N=C3C1=CC=CC3=O)/CC[C@@H]4C(=C)CCCC4(C)C
Structure:
CAS RN: 105969-64-0
CAS Name: (2R)-2-[(3R,6R)-6-methyl-6-[2-(1,1,3,6-tetramethyl-4a,7,8,8a-tetrahydro-4H-naphthalen-2-yl)ethyl]-3-dioxanyl]propanoic acid
OPENEYE Name: (2R)-2-[(3R,6R)-6-methyl-6-[2-(1,1,3,6-tetramethyl-4a,7,8,8a-tetrahydro-4H-naphthalen-2-yl)ethyl]dioxan-3-yl]propanoic acid
IUPAC Name: (2R)-2-[(3R,6R)-6-methyl-6-[2-(1,1,3,6-tetramethyl-4a,7,8,8a-tetrahydro-4H-naphthalen-2-yl)ethyl]dioxan-3-yl]propanoic acid
SYSTEMATIC NAME: (2R)-2-[(3R,6R)-6-methyl-6-[2-(1,1,3,6-tetramethyl-4a,7,8,8a-tetrahydro-4H-naphthalen-2-yl)ethyl]-1,2-dioxan-3-yl]propanoic acid
MOLECULAR FORMULA: C24H38O4
MOLECULAR WEIGHT: 390.55612
SMILES: CC1=CC2CC(=C(C(C2CC1)(C)C)CC[C@@]3(CC[C@@H](OO3)[C@@H](C)C(=O)O)C)C
Structure:
CAS RN: 22199-08-2
CAS Name: silver (4-aminophenyl)sulfonyl-(2-pyrimidinyl)azanide
OPENEYE Name: silver (4-aminophenyl)sulfonyl-pyrimidin-2-yl-azanide
IUPAC Name: silver (4-aminophenyl)sulfonyl-pyrimidin-2-ylazanide
SYSTEMATIC NAME: silver (4-aminophenyl)sulfonyl-pyrimidin-2-yl-azanide
MOLECULAR FORMULA: C10H9AgN4O2S
MOLECULAR WEIGHT: 357.13726
SMILES: C1=CN=C(N=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)N.[Ag+]
Structure:
CAS RN: 20501-56-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H39NO5
MOLECULAR WEIGHT: 421.57016
SMILES: CCN1C[C@@]2(CCC(C34[C@@H]2C[C@@H]([C@@H]31)[C@]5(C[C@@H](C6C[C@@H]4[C@@H]5C6O)OC)O)OC)COC
Structure:
CAS RN: 466-25-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H43NO10
MOLECULAR WEIGHT: 613.69522
SMILES: CC(=O)O[C@]12C[C@@H](C3(C[C@H]([C@@H]1C3OC(=O)C4=CC=CC=C4)C56[C@@H]7[C@@H]2C([C@@H]5[C@@](CCC6OC)(CN7C=O)COC)OC)O)OC
Structure:
CAS RN: 21019-30-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H50N2O10
MOLECULAR WEIGHT: 682.8003
SMILES: CCN1C[C@@]2(CCC(C34[C@@H]2[C@@H]([C@]([C@@H]31)([C@]5(C[C@@H](C6C[C@@H]4[C@@H]5C6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)CC(C8=O)C
Structure:
CAS RN: 1399-07-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H43NO8
MOLECULAR WEIGHT: 521.64292
SMILES: CCN1C[C@@]2(CCC(C34[C@@H]1[C@H](C([C@H]23)OC)[C@]5(C[C@@H](C6C[C@@H]4[C@@H]5C6OC(=O)C)OC)OC(=O)C)O)COC
Structure:
CAS RN: 112790-42-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H30O2
MOLECULAR WEIGHT: 302.451
SMILES: C/C/1=C/CCC2([C@H](O2)C[C@@]3(CC(=O)C(=C(C)C)C3CC1)C)C
Structure:
CAS RN: 79405-68-8
CAS Name: (2S,8S,10R,13R)-10,13-dimethyl-17-[(2R)-5,6,6-trimethylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3,6-triol
OPENEYE Name: (2S,8S,10R,13R)-10,13-dimethyl-17-[(1R)-1,4,5,5-tetramethylhexyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3,6-triol
IUPAC Name: (2S,8S,10R,13R)-10,13-dimethyl-17-[(2R)-5,6,6-trimethylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3,6-triol
SYSTEMATIC NAME: (2S,8S,10R,13R)-10,13-dimethyl-17-[(2R)-5,6,6-trimethylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3,6-triol
MOLECULAR FORMULA: C29H52O3
MOLECULAR WEIGHT: 448.72138
SMILES: C[C@H](CCC(C)C(C)(C)C)C1CCC2[C@@]1(CCC3[C@H]2CC(C4[C@@]3(C[C@@H](C(C4)O)O)C)O)C
Structure:
CAS RN: 109905-56-8
CAS Name: (1S)-4-hydroxy-1-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-cyclopent-2-enecarbonitrile
OPENEYE Name: (1S)-4-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclopent-2-ene-1-carbonitrile
IUPAC Name: (1S)-4-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile
SYSTEMATIC NAME: (1S)-1-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-cyclopent-2-ene-1-carbonitrile
MOLECULAR FORMULA: C12H17NO7
MOLECULAR WEIGHT: 287.26588
SMILES: C1C(C=C[C@@]1(C#N)OC2C(C(C(C(O2)CO)O)O)O)O
Structure:
CAS RN: 123012-00-0
CAS Name: (5S)-5-[(11S)-11-hydroxy-11-[(2S,5R)-5-[(2R,5S)-5-[(1R)-1-hydroxyundecyl]-2-oxolanyl]-2-oxolanyl]undecyl]-3-(2-oxopropyl)-2-oxolanone
OPENEYE Name: (5S)-3-acetonyl-5-[(11S)-11-hydroxy-11-[(2S,5R)-5-[(2R,5S)-5-[(1R)-1-hydroxyundecyl]tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]undecyl]tetrahydrofuran-2-one
IUPAC Name: (5S)-5-[(11S)-11-hydroxy-11-[(2S,5R)-5-[(2R,5S)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one
SYSTEMATIC NAME: (5S)-3-(2-oxidanylidenepropyl)-5-[(11S)-11-oxidanyl-11-[(2S,5R)-5-[(2R,5S)-5-[(1R)-1-oxidanylundecyl]oxolan-2-yl]oxolan-2-yl]undecyl]oxolan-2-one
MOLECULAR FORMULA: C37H66O7
MOLECULAR WEIGHT: 622.91574
SMILES: CCCCCCCCCC[C@H]([C@@H]1CC[C@@H](O1)[C@H]2CC[C@H](O2)[C@H](CCCCCCCCCC[C@H]3CC(C(=O)O3)CC(=O)C)O)O
Structure:
CAS RN: 62996-74-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H26N4O3
MOLECULAR WEIGHT: 466.53104
SMILES: CC12[C@H]([C@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OC
Structure:
CAS RN: 155-41-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H24BrNO4
MOLECULAR WEIGHT: 398.29146
SMILES: C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C.[Br-]
Structure:
CAS RN: 644-69-9
CAS Name: (2S)-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-2H-furan-5-one
OPENEYE Name: (2S)-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-2H-furan-5-one
IUPAC Name: (2S)-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2H-furan-5-one
SYSTEMATIC NAME: (2S)-2-[[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-2H-furan-5-one
MOLECULAR FORMULA: C11H16O8
MOLECULAR WEIGHT: 276.23994
SMILES: C1=CC(=O)O[C@@H]1COC2C(C(C(C(O2)CO)O)O)O
Structure:
CAS RN: 123123-32-0
CAS Name: 4-[(2S,13S)-2,13-dihydroxy-13-[(2S,5S)-5-[(2S,5S)-5-[(1R)-1-hydroxyundecyl]-2-oxolanyl]-2-oxolanyl]tridecyl]-2-methyl-2H-furan-5-one
OPENEYE Name: 4-[(2S,13S)-2,13-dihydroxy-13-[(2S,5S)-5-[(2S,5S)-5-[(1R)-1-hydroxyundecyl]tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]tridecyl]-2-methyl-2H-furan-5-one
IUPAC Name: 4-[(2S,13S)-2,13-dihydroxy-13-[(2S,5S)-5-[(2S,5S)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
SYSTEMATIC NAME: 4-[(2S,13S)-2,13-bis(oxidanyl)-13-[(2S,5S)-5-[(2S,5S)-5-[(1R)-1-oxidanylundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
MOLECULAR FORMULA: C37H66O7
MOLECULAR WEIGHT: 622.91574
SMILES: CCCCCCCCCC[C@H]([C@@H]1CC[C@H](O1)[C@@H]2CC[C@H](O2)[C@H](CCCCCCCCCC[C@@H](CC3=CC(OC3=O)C)O)O)O
Structure:
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