CAS RN: 110187-25-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H43N5O6
MOLECULAR WEIGHT: 557.68162
SMILES: CC(C)CC1C(=O)N/C=C\C2=C(C=CC(=C2)OC3CCN(C3C(=O)N1)C(=O)C(C(C)C)NC(=O)C(C)NC)OC
Structure:
CAS RN: 110115-57-6
CAS Name: (Z)-3-(hydroxymethyl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-butenenitrile
OPENEYE Name: (Z)-3-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-but-2-enenitrile
IUPAC Name: (Z)-3-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enenitrile
SYSTEMATIC NAME: (Z)-3-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-but-2-enenitrile
MOLECULAR FORMULA: C11H17NO7
MOLECULAR WEIGHT: 275.25518
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC/C(=C\C#N)/CO)O)O)O)O
Structure:
CAS RN: 110065-77-5
CAS Name: (6E,10E)-10-(hydroxymethyl)-3-methylene-4-(2-methyl-1-oxobutoxy)-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylic acid methyl ester
OPENEYE Name: methyl (6E,10E)-10-(hydroxymethyl)-4-(2-methylbutanoyloxy)-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate
IUPAC Name: methyl (6E,10E)-10-(hydroxymethyl)-4-(2-methylbutanoyloxy)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate
SYSTEMATIC NAME: methyl (6E,10E)-10-(hydroxymethyl)-4-(2-methylbutanoyloxy)-3-methylidene-2-oxidanylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate
MOLECULAR FORMULA: C21H28O7
MOLECULAR WEIGHT: 392.44282
SMILES: CCC(C)C(=O)OC1C/C(=C\CC/C(=C\C2C1C(=C)C(=O)O2)/CO)/C(=O)OC
Structure:
CAS RN: 110065-73-1
CAS Name: (E)-3-phenyl-2-propenoic acid [(2R,3S)-5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl] ester
OPENEYE Name: [(2R,3S)-5,7-dihydroxy-4-oxo-2-phenyl-chroman-3-yl] (E)-3-phenylprop-2-enoate
IUPAC Name: [(2R,3S)-5,7-dihydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl] (E)-3-phenylprop-2-enoate
SYSTEMATIC NAME: [(2R,3S)-5,7-bis(oxidanyl)-4-oxidanylidene-2-phenyl-2,3-dihydrochromen-3-yl] (E)-3-phenylprop-2-enoate
MOLECULAR FORMULA: C24H18O6
MOLECULAR WEIGHT: 402.39612
SMILES: C1=CC=C(C=C1)/C=C/C(=O)O[C@H]2[C@H](OC3=CC(=CC(=C3C2=O)O)O)C4=CC=CC=C4
Structure:
CAS RN: 110064-61-4
CAS Name: 3,5,5-trimethyl-4-[(E)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxy-2-oxanyl]oxymethyl]-2-oxanyl]oxy]but-1-enyl]-1-cyclohex-2-enone
OPENEYE Name: 3,5,5-trimethyl-4-[(E)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one
IUPAC Name: 3,5,5-trimethyl-4-[(E)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one
SYSTEMATIC NAME: 3,5,5-trimethyl-4-[(E)-3-[(2S,3R,4S,5S,6R)-3,4,5-tris(oxidanyl)-6-[[(2S,3R,4S,5S)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one
MOLECULAR FORMULA: C24H38O11
MOLECULAR WEIGHT: 502.55192
SMILES: CC1=CC(=O)CC(C1/C=C/C(C)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@H](CO3)O)O)O)O)O)O)(C)C
Structure:
CAS RN: 110044-49-0
CAS Name: (Z)-3-(4-hydroxyphenyl)-2-propenoic acid [(2R,3S,4S,5R,6S)-6-[4-[(8aS)-7-methyl-1,2,3,5,8,8a-hexahydroindolizin-6-yl]phenoxy]-3,4,5-trihydroxy-2-oxanyl]methyl ester
OPENEYE Name: [(2R,3S,4S,5R,6S)-6-[4-[(8aS)-7-methyl-1,2,3,5,8,8a-hexahydroindolizin-6-yl]phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl (Z)-3-(4-hydroxyphenyl)prop-2-enoate
IUPAC Name: [(2R,3S,4S,5R,6S)-6-[4-[(8aS)-7-methyl-1,2,3,5,8,8a-hexahydroindolizin-6-yl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (Z)-3-(4-hydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2R,3S,4S,5R,6S)-6-[4-[(8aS)-7-methyl-1,2,3,5,8,8a-hexahydroindolizin-6-yl]phenoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methyl (Z)-3-(4-hydroxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C30H35NO8
MOLECULAR WEIGHT: 537.6008
SMILES: CC1=C(CN2CCC[C@H]2C1)C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)/C=C\C5=CC=C(C=C5)O)O)O)O
Structure:
CAS RN: 110013-85-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H36O3
MOLECULAR WEIGHT: 384.55154
SMILES: C[C@H]1C[C@@H](OC12CC[C@]3([C@H]2C/C=C(\[C@H]4[C@H](C3)C(=CC4=O)C)/CO)C)C=C(C)C
Structure:
CAS RN: 110011-74-0
CAS Name: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid [3,4,5-trihydroxy-6-[4-(7-methyl-1,2,3,5,8,8a-hexahydroindolizin-6-yl)phenoxy]-2-oxanyl]methyl ester
OPENEYE Name: [3,4,5-trihydroxy-6-[4-(7-methyl-1,2,3,5,8,8a-hexahydroindolizin-6-yl)phenoxy]tetrahydropyran-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoate
IUPAC Name: [3,4,5-trihydroxy-6-[4-(7-methyl-1,2,3,5,8,8a-hexahydroindolizin-6-yl)phenoxy]oxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [6-[4-(7-methyl-1,2,3,5,8,8a-hexahydroindolizin-6-yl)phenoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methyl (E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enoate
MOLECULAR FORMULA: C32H39NO10
MOLECULAR WEIGHT: 597.65276
SMILES: CC1=C(CN2CCCC2C1)C3=CC=C(C=C3)OC4C(C(C(C(O4)COC(=O)/C=C/C5=CC(=C(C(=C5)OC)O)OC)O)O)O
Structure:
CAS RN: 110011-73-9
CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [3,4,5-trihydroxy-6-[4-(7-methyl-1,2,3,5,8,8a-hexahydroindolizin-6-yl)phenoxy]-2-oxanyl]methyl ester
OPENEYE Name: [3,4,5-trihydroxy-6-[4-(7-methyl-1,2,3,5,8,8a-hexahydroindolizin-6-yl)phenoxy]tetrahydropyran-2-yl]methyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
IUPAC Name: [3,4,5-trihydroxy-6-[4-(7-methyl-1,2,3,5,8,8a-hexahydroindolizin-6-yl)phenoxy]oxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [6-[4-(7-methyl-1,2,3,5,8,8a-hexahydroindolizin-6-yl)phenoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methyl (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate
MOLECULAR FORMULA: C31H37NO9
MOLECULAR WEIGHT: 567.62678
SMILES: CC1=C(CN2CCCC2C1)C3=CC=C(C=C3)OC4C(C(C(C(O4)COC(=O)/C=C/C5=CC(=C(C=C5)O)OC)O)O)O
Structure:
CAS RN: 109857-08-1
CAS Name: (2E)-2-[(2,5-dimethoxyphenyl)methylidene]-3H-inden-1-one
OPENEYE Name: (2E)-2-[(2,5-dimethoxyphenyl)methylene]indan-1-one
IUPAC Name: (2E)-2-[(2,5-dimethoxyphenyl)methylidene]-3H-inden-1-one
SYSTEMATIC NAME: (2E)-2-[(2,5-dimethoxyphenyl)methylidene]-3H-inden-1-one
MOLECULAR FORMULA: C18H16O3
MOLECULAR WEIGHT: 280.31784
SMILES: COC1=CC(=C(C=C1)OC)/C=C/2\CC3=CC=CC=C3C2=O
Structure:
CAS RN: 109838-38-2
CAS Name: (1R,3S)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid (phenylmethyl) ester
OPENEYE Name: benzyl (1R,3S)-3-[(E)-3-methoxy-2-methyl-3-oxo-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: benzyl (1R,3S)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: (phenylmethyl) (1R,3S)-3-[(E)-3-methoxy-2-methyl-3-oxidanylidene-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C18H22O4
MOLECULAR WEIGHT: 302.36488
SMILES: C/C(=C\[C@H]1[C@H](C1(C)C)C(=O)OCC2=CC=CC=C2)/C(=O)OC
Structure:
CAS RN: 109789-13-1
CAS Name: (5E)-7-hydroperoxy-7-methyl-3-methyleneocta-1,5-diene
OPENEYE Name: (5E)-7-hydroperoxy-7-methyl-3-methylene-octa-1,5-diene
IUPAC Name: (5E)-7-hydroperoxy-7-methyl-3-methylideneocta-1,5-diene
SYSTEMATIC NAME: (5E)-7-(dioxidanyl)-7-methyl-3-methylidene-octa-1,5-diene
MOLECULAR FORMULA: C10H16O2
MOLECULAR WEIGHT: 168.23284
SMILES: CC(C)(/C=C/CC(=C)C=C)OO
Structure:
CAS RN: 109761-28-6
CAS Name: 3-acetyl-6-methylpyran-2,4-dione; (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid
OPENEYE Name: 3-acetyl-6-methyl-pyran-2,4-dione; (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
IUPAC Name: 3-acetyl-6-methylpyran-2,4-dione; (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoic acid; 3-ethanoyl-6-methyl-pyran-2,4-dione
MOLECULAR FORMULA: C17H16O8
MOLECULAR WEIGHT: 348.30414
SMILES: CC1=CC(=O)C(C(=O)O1)C(=O)C.C1=CC(=C(C=C1/C=C/C(=O)O)O)O
Structure:
CAS RN: 109517-71-7
CAS Name: 2-[3-hydroxy-5-methoxy-4-[(2E,4E)-1-oxoocta-2,4-dienyl]phenyl]acetic acid
OPENEYE Name: 2-[3-hydroxy-5-methoxy-4-[(2E,4E)-octa-2,4-dienoyl]phenyl]acetic acid
IUPAC Name: 2-[3-hydroxy-5-methoxy-4-[(2E,4E)-octa-2,4-dienoyl]phenyl]acetic acid
SYSTEMATIC NAME: 2-[3-methoxy-4-[(2E,4E)-octa-2,4-dienoyl]-5-oxidanyl-phenyl]ethanoic acid
MOLECULAR FORMULA: C17H20O5
MOLECULAR WEIGHT: 304.3377
SMILES: CCC/C=C/C=C/C(=O)C1=C(C=C(C=C1OC)CC(=O)O)O
Structure:
CAS RN: 109517-70-6
CAS Name: 2-[(2S)-5-methoxy-2-[(E)-4-oxopent-2-enyl]-3,4-dihydro-2H-1-benzopyran-7-yl]acetic acid
OPENEYE Name: 2-[(2S)-5-methoxy-2-[(E)-4-oxopent-2-enyl]chroman-7-yl]acetic acid
IUPAC Name: 2-[(2S)-5-methoxy-2-[(E)-4-oxopent-2-enyl]-3,4-dihydro-2H-chromen-7-yl]acetic acid
SYSTEMATIC NAME: 2-[(2S)-5-methoxy-2-[(E)-4-oxidanylidenepent-2-enyl]-3,4-dihydro-2H-chromen-7-yl]ethanoic acid
MOLECULAR FORMULA: C17H20O5
MOLECULAR WEIGHT: 304.3377
SMILES: CC(=O)/C=C/C[C@@H]1CCC2=C(O1)C=C(C=C2OC)CC(=O)O
Structure:
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