AC1L4WHD
[2-[(3S,5S,8R,9S,10R,13R,14S,17R)-3-acetyloxy-10-(acetyloxymethyl)-5,14-dihydroxy-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-iodoacetate
Also Known As: KST-1A3920|3-beta,5-beta,14-beta,19,21-Pentahydroxypregnan-20-one 3,19-diacetate 21-iodoacetate|14-beta,17-alpha-Pregnan-20-one, 3-beta,5-beta,14,19,21-pentahydroxy-, 3,19-diacetate, 21-iodoacetate|(3|A,5|A,14|A,17|A)-3,19-bis(acetyloxy)-5,14-dihydroxy-20-oxopregnan-21-yl iodoacetate|(14beta,17alpha)-3beta,19-Diacetoxy-5,14-dihydroxy-21-(iodoacetoxy)-5beta-pregnan-20-one|[2-[(3S,5S,8R,9S,10R,13R,14S,17R)-3-acetyloxy-10-(acetyloxymethyl)-5,14-dihydroxy-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-iodoacetate|2-[(1R,3aS,3bR,5aS,7S,9aR,9bS,11aR)-7-(acetyloxy)-9a-[(acetyloxy)methyl]-3a,5a-dihydroxy-11a-methyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl 2-iodoacetate|5.beta.,14.beta.,17.alpha.-Pregnan-20-one, 3.beta.,5,14,19,21-pentahydroxy-, 3,19-diacetate 21-(iodoacetate)
| Molecular Formula | C27H39IO9 |
|---|---|
| Molecular Weight | 634.1639 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 634.1639 |
| Monoisotopic Mass | 634.1639 |
| Heavy Atoms | 37 |
| Complexity | 954.0 |
Chemical Identifiers
| CAS Number | 3362-33-2 |
|---|---|
| SMILES | CC(=O)OC[C@]12CC[C@@H](C[C@]1(CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@H]4C(=O)COC(=O)CI)O)C)O)OC(=O)C |
| InChIKey | IIKJWHUZSBAFRB-YKJLZJSLSA-N |
Product Overview
AC1L4WHD (CAS 3362-33-2), with molecular formula C27H39IO9 and molecular weight 634.1639 g/mol. IUPAC: [2-[(3S,5S,8R,9S,10R,13R,14S,17R)-3-acetyloxy-10-(acetyloxymethyl)-5,14-dihydroxy-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-iodoacetate.