CAS RN: 95723-62-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H23NO6
MOLECULAR WEIGHT: 349.37832
SMILES: C/C=C\1/CC2(CO2)C(C(=O)OCC3=CCN4C3C(CC4)OC1=O)(C)O
Structure:
CAS RN: 92121-55-6
CAS Name: 4-hydroxy-4-[(3E,5E,7E,9E,11E,13E,15E)-18-(4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl)-3,7,12,16-tetramethyl-2-oxooctadeca-3,5,7,9,11,13,15-heptaen-17-ynyl]-3,5,5-trimethyl-1-cyclohex-2-enone
OPENEYE Name: 4-hydroxy-4-[(3E,5E,7E,9E,11E,13E,15E)-18-(4-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl)-3,7,12,16-tetramethyl-2-oxo-octadeca-3,5,7,9,11,13,15-heptaen-17-ynyl]-3,5,5-trimethyl-cyclohex-2-en-1-one
IUPAC Name: 4-hydroxy-4-[(3E,5E,7E,9E,11E,13E,15E)-18-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7,12,16-tetramethyl-2-oxooctadeca-3,5,7,9,11,13,15-heptaen-17-ynyl]-3,5,5-trimethylcyclohex-2-en-1-one
SYSTEMATIC NAME: 3,5,5-trimethyl-4-oxidanyl-4-[(3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-2-oxidanylidene-18-(2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl)octadeca-3,5,7,9,11,13,15-heptaen-17-ynyl]cyclohex-2-en-1-one
MOLECULAR FORMULA: C40H52O4
MOLECULAR WEIGHT: 596.83848
SMILES: CC1=C(C(CC(C1)O)(C)C)C#C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)CC2(C(=CC(=O)CC2(C)C)C)O)/C)/C
Structure:
CAS RN: 90364-92-4
CAS Name: acetic acid [(1R,3'R,6R,7S,11Z)-3',6,7,14-tetramethyl-3,8,17-trioxo-7-spiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]yl] ester
OPENEYE Name: [(1R,3'R,6R,7S,11Z)-3',6,7,14-tetramethyl-3,8,17-trioxo-spiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-7-yl] acetate
IUPAC Name: [(1R,3'R,6R,7S,11Z)-3',6,7,14-tetramethyl-3,8,17-trioxospiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-7-yl] acetate
SYSTEMATIC NAME: [(1R,3'R,6R,7S,11Z)-3',6,7,14-tetramethyl-3,8,17-tris(oxidanylidene)spiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-7-yl] ethanoate
MOLECULAR FORMULA: C21H29NO8
MOLECULAR WEIGHT: 423.45686
SMILES: C[C@@H]1CC2([C@H](O2)C)C(=O)O[C@@H]3CCN(C/C=C(\C3=O)/COC(=O)[C@@]1(C)OC(=O)C)C
Structure:
CAS RN: 90364-91-3
CAS Name: acetic acid [(1R,4Z,6R,7S,11Z)-4-ethylidene-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] ester
OPENEYE Name: [(1R,4Z,6R,7S,11Z)-4-ethylidene-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] acetate
IUPAC Name: [(1R,4Z,6R,7S,11Z)-4-ethylidene-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] acetate
SYSTEMATIC NAME: [(1R,4Z,6R,7S,11Z)-4-ethylidene-6,7,14-trimethyl-3,8,17-tris(oxidanylidene)-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] ethanoate
MOLECULAR FORMULA: C21H29NO7
MOLECULAR WEIGHT: 407.45746
SMILES: C/C=C\1/C[C@H]([C@](C(=O)OC/C/2=C/CN(CC[C@H](C2=O)OC1=O)C)(C)OC(=O)C)C
Structure:
CAS RN: 90282-82-9
CAS Name: acetic acid [(1R,4Z,6R,7S,11Z)-4-ethyl-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadeca-4,11-dien-7-yl] ester
OPENEYE Name: [(1R,4Z,6R,7S,11Z)-4-ethyl-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadeca-4,11-dien-7-yl] acetate
IUPAC Name: [(1R,4Z,6R,7S,11Z)-4-ethyl-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadeca-4,11-dien-7-yl] acetate
SYSTEMATIC NAME: [(1R,4Z,6R,7S,11Z)-4-ethyl-6,7,14-trimethyl-3,8,17-tris(oxidanylidene)-2,9-dioxa-14-azabicyclo[9.5.1]heptadeca-4,11-dien-7-yl] ethanoate
MOLECULAR FORMULA: C21H29NO7
MOLECULAR WEIGHT: 407.45746
SMILES: CC/C/1=C/[C@H]([C@](C(=O)OC/C/2=C/CN(CC[C@H](C2=O)OC1=O)C)(C)OC(=O)C)C
Structure:
CAS RN: 89989-28-6
CAS Name: 3-[[(10Z,16E)-13-[(E)-12-(diaminomethylideneamino)-4-methyldodec-8-en-2-yl]-5,7,9,19,21,23,27,29,30,31-decahydroxy-8,12,18,22,26-pentamethyl-15-oxo-14,33-dioxabicyclo[27.3.1]tritriaconta-10,16-dien-3-yl]oxy]-3-oxopropanoic acid
OPENEYE Name: 3-[[(10Z,16E)-13-[(E)-11-guanidino-1,3-dimethyl-undec-7-enyl]-5,7,9,19,21,23,27,29,30,31-decahydroxy-8,12,18,22,26-pentamethyl-15-oxo-14,33-dioxabicyclo[27.3.1]tritriaconta-10,16-dien-3-yl]oxy]-3-oxo-propanoic acid
IUPAC Name: 3-[[(10Z,16E)-13-[(E)-12-(diaminomethylideneamino)-4-methyldodec-8-en-2-yl]-5,7,9,19,21,23,27,29,30,31-decahydroxy-8,12,18,22,26-pentamethyl-15-oxo-14,33-dioxabicyclo[27.3.1]tritriaconta-10,16-dien-3-yl]oxy]-3-oxopropanoic acid
SYSTEMATIC NAME: 3-[[(10Z,16E)-13-[(E)-12-[bis(azanyl)methylideneamino]-4-methyl-dodec-8-en-2-yl]-8,12,18,22,26-pentamethyl-5,7,9,19,21,23,27,29,30,31-decakis(oxidanyl)-15-oxidanylidene-14,33-dioxabicyclo[27.3.1]tritriaconta-10,16-dien-3-yl]oxy]-3-oxidanylidene-propanoic
MOLECULAR FORMULA: C53H93N3O17
MOLECULAR WEIGHT: 1044.31542
SMILES: CC1CCC(C(C(CC(C(/C=C/C(=O)OC(C(/C=C\C(C(C(CC(CC(CC2CC(C(C(O2)(CC1O)O)O)O)OC(=O)CC(=O)O)O)O)C)O)C)C(C)CC(C)CCC/C=C/CCCN=C(N)N)C)O)O)C)O
Structure:
CAS RN: 80112-34-1
CAS Name: (E)-4-[(2-hydroxy-5-oxo-1-cyclopentenyl)amino]-4-oxo-2-butenoic acid [(2R,4R,5S,6R)-2-hydroxy-2-[(2S,3R,4S)-3-hydroxy-4-[(3S,4Z,6Z,9S,10S,11R,12Z,14E)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-
OPENEYE Name: [(2R,4R,5S,6R)-2-hydroxy-2-[(1S,2R,3S)-2-hydroxy-3-[(3S,4Z,6Z,9S,10S,11R,12Z,14E)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]-1-methyl-butyl]-6-isopropyl-5-methyl-tetrahydropyran-4-yl] (E)-4-[(2-hydrox
IUPAC Name: [(2R,4R,5S,6R)-2-hydroxy-2-[(2S,3R,4S)-3-hydroxy-4-[(3S,4Z,6Z,9S,10S,11R,12Z,14E)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5-methyl-6-propan-2-yloxan-4-yl] (E)-4-[(2-hydroxy-5-oxocyclope
SYSTEMATIC NAME: [(2R,4R,5S,6R)-2-[(2S,3R,4S)-4-[(3S,4Z,6Z,9S,10S,11R,12Z,14E)-3,15-dimethoxy-7,9,11,13-tetramethyl-10-oxidanyl-16-oxidanylidene-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]-3-oxidanyl-pentan-2-yl]-5-methyl-2-oxidanyl-6-propan-2-yl-oxan-4-yl] (E)-4-oxidanyli
MOLECULAR FORMULA: C44H65NO13
MOLECULAR WEIGHT: 815.9858
SMILES: C[C@H]1C/C(=C\C=C/[C@@H](C(OC(=O)/C(=C\C(=C/[C@H]([C@H]1O)C)\C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)C(C)C)C)OC(=O)/C=C/C(=O)NC3=C(CCC3=O)O)O)O)OC)/C
Structure:
CAS RN: 88899-56-3
CAS Name: (E)-4-[(2-hydroxy-5-oxo-1-cyclopentenyl)amino]-4-oxo-2-butenoic acid [(2R,4R,5S,6R)-2-hydroxy-2-[(2S,3R,4S)-3-hydroxy-4-[(3S,4Z,6Z,9S,10S,11R,12Z,14E)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-
OPENEYE Name: [(2R,4R,5S,6R)-2-hydroxy-2-[(1S,2R,3S)-2-hydroxy-3-[(3S,4Z,6Z,9S,10S,11R,12Z,14E)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]-1-methyl-butyl]-6-isopropyl-5-methyl-tetrahydropyran-4-yl] (E)-4-[(2-hydrox
IUPAC Name: [(2R,4R,5S,6R)-2-hydroxy-2-[(2S,3R,4S)-3-hydroxy-4-[(3S,4Z,6Z,9S,10S,11R,12Z,14E)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5-methyl-6-propan-2-yloxan-4-yl] (E)-4-[(2-hydroxy-5-oxocyclope
SYSTEMATIC NAME: [(2R,4R,5S,6R)-2-[(2S,3R,4S)-4-[(3S,4Z,6Z,9S,10S,11R,12Z,14E)-3,15-dimethoxy-7,9,11,13-tetramethyl-10-oxidanyl-16-oxidanylidene-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]-3-oxidanyl-pentan-2-yl]-5-methyl-2-oxidanyl-6-propan-2-yl-oxan-4-yl] (E)-4-oxidanyli
MOLECULAR FORMULA: C44H65NO13
MOLECULAR WEIGHT: 815.9858
SMILES: C[C@H]1C/C(=C\C=C/[C@@H](C(OC(=O)/C(=C\C(=C/[C@H]([C@H]1O)C)\C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)C(C)C)C)OC(=O)/C=C/C(=O)NC3=C(CCC3=O)O)O)O)OC)/C
Structure:
CAS RN: 88643-48-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H30O4
MOLECULAR WEIGHT: 334.4498
SMILES: C/C/1=C\CC[C@]2([C@@H](O2)C[C@H]3CC[C@]([C@@H](CC1)O)(OC(=O)C3=C)C)C
Structure:
CAS RN: 87370-86-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C46H64O17
MOLECULAR WEIGHT: 888.99016
SMILES: CCC/C=C/C=C/C(=O)O[C@@H]1C2=CC(=O)O[C@@H]2[C@H]3CC(OC(=O)C[C@@H](C[C@@H]4C[C@@H](C([C@@](O4)(C[C@@H]5C/C(=C/C(=O)OC)/C[C@@H](O5)/C=C\C([C@@]1(O3)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O
Structure:
CAS RN: 87340-28-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H29N2O4+
MOLECULAR WEIGHT: 397.48736
SMILES: C/C=C\1/C[N+]2([C@H]3C[C@@H]1C([C@@H]2CC4=C3NC5=C4C=CC(=C5)OC)(CO)C(=O)OC)C
Structure:
CAS RN: 86934-09-0
CAS Name: (2E,4E,6Z,8E,10E,12R,13R,14E,16S)-13-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-2,10,12,14,16-pentamethyloctadeca-2,4,6,8,10,14-hexaenamide
OPENEYE Name: (2E,4E,6Z,8E,10E,12R,13R,14E,16S)-13-hydroxy-N-[(1S)-2-hydroxy-1-methyl-ethyl]-2,10,12,14,16-pentamethyl-octadeca-2,4,6,8,10,14-hexaenamide
IUPAC Name: (2E,4E,6Z,8E,10E,12R,13R,14E,16S)-13-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-2,10,12,14,16-pentamethyloctadeca-2,4,6,8,10,14-hexaenamide
SYSTEMATIC NAME: (2E,4E,6Z,8E,10E,12R,13R,14E,16S)-2,10,12,14,16-pentamethyl-13-oxidanyl-N-[(2S)-1-oxidanylpropan-2-yl]octadeca-2,4,6,8,10,14-hexaenamide
MOLECULAR FORMULA: C26H41NO3
MOLECULAR WEIGHT: 415.60864
SMILES: CC[C@H](C)/C=C(\C)/[C@@H]([C@H](C)/C=C(\C)/C=C/C=C\C=C\C=C(/C)\C(=O)N[C@@H](C)CO)O
Structure:
CAS RN: 34138-28-8
CAS Name: (2Z)-3-methoxy-5-methyl-4-oxohexa-2,5-dienamide
OPENEYE Name: (2Z)-3-methoxy-5-methyl-4-oxo-hexa-2,5-dienamide
IUPAC Name: (2Z)-3-methoxy-5-methyl-4-oxohexa-2,5-dienamide
SYSTEMATIC NAME: (2Z)-3-methoxy-5-methyl-4-oxidanylidene-hexa-2,5-dienamide
MOLECULAR FORMULA: C8H11NO3
MOLECULAR WEIGHT: 169.17784
SMILES: CC(=C)C(=O)/C(=C/C(=O)N)/OC
Structure:
CAS RN: 34081-90-8
CAS Name: (2S,3R,5Z)-5-ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylhexanedioic acid
OPENEYE Name: (2S,3R,5Z)-5-ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methyl-hexanedioic acid
IUPAC Name: (2S,3R,5Z)-5-ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylhexanedioic acid
SYSTEMATIC NAME: (2S,3R,5Z)-5-ethylidene-2-(hydroxymethyl)-3-methyl-2-oxidanyl-hexanedioic acid
MOLECULAR FORMULA: C10H16O6
MOLECULAR WEIGHT: 232.23044
SMILES: C/C=C(/C[C@@H](C)[C@](CO)(C(=O)O)O)\C(=O)O
Structure:
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