CAS RN: 57498-88-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H26O9
MOLECULAR WEIGHT: 434.43644
SMILES: C/C=C(/COC(=O)C)\C(=O)O[C@@H]1CC2([C@@H](O2)[C@@H]3[C@@H](O3)/C(=C/[C@@H]4[C@@H]1C(=C)C(=O)O4)/CO)C
Structure:
CAS RN: 78835-06-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H46O3
MOLECULAR WEIGHT: 454.68444
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]5[C@@]4([C@H]6C(=O)O[C@@H](C5(C)C)O6)C)C)C)C
Structure:
CAS RN: 65967-13-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H50N4O7
MOLECULAR WEIGHT: 734.8797
SMILES: COC1=CC=CC2=C1N3C[C@@]4(C[C@H]5[C@]3([C@]26CCN7[C@H]6[C@@]8(C5)CCO[C@H]8CC7)O)[C@H]9[C@@]1(CCO9)CC(=C2[C@@]3([C@H]1N(C4O)CC3)C1=CC=CC=C1N2)C(=O)OC
Structure:
CAS RN: 69686-84-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H44O7
MOLECULAR WEIGHT: 516.66616
SMILES: CC1C(C(CC(O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@]45[C@@H]3CC[C@@](C4=O)([C@H](CC5)C6=CC(=O)OC6)C)C)OC)O
Structure:
CAS RN: 82290-17-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H28O11
MOLECULAR WEIGHT: 504.48322
SMILES: CC1[C@@H]2C[C@@H]3[C@@]45CO[C@]([C@@H]4[C@H](C(=O)O3)OC(=O)C)([C@H]([C@@H]([C@@H]5[C@]2(C=C6C1=CC(=O)O6)C)O)O)C(=O)OC
Structure:
CAS RN: 88980-54-5
CAS Name: (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,7-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
OPENEYE Name: (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(1R,2R)-1,2,6-trihydroxy-1,5-dimethyl-hexyl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
IUPAC Name: (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,7-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
SYSTEMATIC NAME: (2S,3R,5R,9R,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R,3R)-6-methyl-2,3,7-tris(oxidanyl)heptan-2-yl]-2,3,14-tris(oxidanyl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
MOLECULAR FORMULA: C27H44O7
MOLECULAR WEIGHT: 480.63406
SMILES: CC(CC[C@H]([C@@](C)([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)O)O)CO
Structure:
CAS RN: 82151-95-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H34O9
MOLECULAR WEIGHT: 478.53206
SMILES: C[C@@H]1[C@@H]2CC(=O)O[C@H]3[C@@]24COC([C@@H]1O)([C@@H]4[C@@]5([C@@H]([C@H]3OC(=O)C=C(C)C)C(=CC(C5O)O)C)C)O
Structure:
CAS RN: 65120-24-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C44H56N4O12S
MOLECULAR WEIGHT: 865.00004
SMILES: CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@](C[C@@]([C@@H]8N6C=O)(C(=O)OC)O)(C=CC9)CC)OC)C(=O)OC)O.OS(=O)(=O)O
Structure:
CAS RN: 82026-07-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H34O5
MOLECULAR WEIGHT: 354.48096
SMILES: C[C@]12CC[C@H]([C@@]([C@@H]1[C@@H](C[C@@H]3[C@@]24CC[C@@]([C@H](C3)C4)(CO)O)O)(C)CO)O
Structure:
CAS RN: 82026-03-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H36O5
MOLECULAR WEIGHT: 380.51824
SMILES: CC(=O)OC[C@]1([C@@H]2CC[C@H]3C[C@@H]4C[C@@]3([C@]2(CC[C@H]1O)C)CC[C@@]4(CO)O)C
Structure:
CAS RN: 70322-88-2
CAS Name: acetic acid [5,10-dihydroxy-7-methoxy-2-methyl-6-[(E)-3-methylbut-1-enyl]-4-oxo-1,3-dihydroanthracen-2-yl] ester
OPENEYE Name: [5,10-dihydroxy-7-methoxy-2-methyl-6-[(E)-3-methylbut-1-enyl]-4-oxo-1,3-dihydroanthracen-2-yl] acetate
IUPAC Name: [5,10-dihydroxy-7-methoxy-2-methyl-6-[(E)-3-methylbut-1-enyl]-4-oxo-1,3-dihydroanthracen-2-yl] acetate
SYSTEMATIC NAME: [7-methoxy-2-methyl-6-[(E)-3-methylbut-1-enyl]-5,10-bis(oxidanyl)-4-oxidanylidene-1,3-dihydroanthracen-2-yl] ethanoate
MOLECULAR FORMULA: C23H26O6
MOLECULAR WEIGHT: 398.44894
SMILES: CC(C)/C=C/C1=C(C2=C(C3=C(CC(CC3=O)(C)OC(=O)C)C=C2C=C1OC)O)O
Structure:
CAS RN: 83314-01-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C47H68O17
MOLECULAR WEIGHT: 905.03262
SMILES: CCC/C=C/C=C/C(=O)OC1/C(=C/C(=O)OC)/CC2C[C@@H](OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C\C(=O)OC)/CC(O4)/C=C/C(C1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O
Structure:
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