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| Compound number: |
MolPort-003-894-734
|
| CAS number: | 6732-01-0 |
| IUPAC: |
2-({[(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}carbonyl)benzoic acid
|
| IUPAC traditional: |
2-({[(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-yl]oxy}carbonyl)benzoic acid
|
| SMILES: |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)c1ccccc1C(O)=O |r,t:14|
|
| InChI key: |
DNRPYEJJPBQNQB-MMFRCHASSA-N
|
| Molecular formula: |
C35H50O4
|
| Molecular weight: | 534.781 |
| Solubility: | not available |
|
| Compound number: | MolPort-003-894-734 |
| CAS number: | 6732-01-0 |
| Name: | ZINC000004742509 |
| MFCD00046245 | |
| 1,2-Benzenedicarboxylic acid, mono[(3beta)-cholest-5-en-3-yl] ester | |
| 2-{[14-((1R)-1,5-dimethylhexyl)(1S,5S,10S,11S,2R,14R,15R)-2,15-dimethyltetracy clo[8.7.0.0<2,7>.0<11,15>]heptadec-7-en-5-yl]oxycarbonyl}benzoic acid | |
| cholest-5-en-3beta-yl hydrogen phthalate | |
| Cholesterol hydrogen phthalate |
| InChI: | 1S/C35H50O4/c1-22(2)9-8-10-23(3)29-15-16-30-28-14-13-24-21-25(17-19-34(24,4)31(28)18-20-35(29,30)5)39-33(38)27-12-7-6-11-26(27)32(36)37/h6-7,11-13,22-23,25,28-31H,8-10,14-21H2,1-5H3,(H,36,37)/t23-,25+,28+,29-,30+,31+,34+,35-/m1/s1 |
| InChI key: | DNRPYEJJPBQNQB-MMFRCHASSA-N |
| Molecular formula: | C35H50O4 |
| Molecular weight: | 534.781 |
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