AC1L5PHK
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-phenyldiazenylbenzoate
Also Known As: KST-1A3510|2-SY-28|4-(Phenylazo)benzoic acid 3beta-cholesteryl ester|(3|A)-cholest-5-en-3-yl 4-[(e)-phenyldiazenyl]benzoate|(Azobenzene-4-yl)formic acid 3beta-cholesteryl ester|2-Naphthalenemethanamine, N-(2-bromoethyl)-N-ethyl-|(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 4-(2-phenyldiazen-1-yl)benzoate|[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-phenyldiazenylbenzoate
| Molecular Formula | C40H54N2O2 |
|---|---|
| Molecular Weight | 594.4185 g/mol |
| LogP | 12.6 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 594.4185 |
| Monoisotopic Mass | 594.4185 |
| Heavy Atoms | 44 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 24909-60-2 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C5=CC=C(C=C5)N=NC6=CC=CC=C6)C)C |
| InChIKey | ZJEHXCIPPYQSCO-HOKOKXPTSA-N |
Product Overview
AC1L5PHK (CAS 24909-60-2), with molecular formula C40H54N2O2 and molecular weight 594.4185 g/mol. IUPAC: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-phenyldiazenylbenzoate.