Ro 12-2503
3-[(1R,2R,4R,10R,11S,14S,15S,19S)-15-hydroxy-10,14-dimethyl-7-oxo-15-pentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-5,16-dienyl]propanoic acid
Also Known As: Ro 12-2503|17alpha-Hydroxy-6beta,7beta-methylene-3-oxo-D-homo-17aalpha-pregna-4,16-dien-21-carboxylic acid|3'H-Cyclopropa(6,7)-D-homopregna-4,6,16-triene-21-carboxylic acid, 6,7-dihydro-17a-hydroxy-3-oxo-, (6alpha,7alpha,17aalpha)-|3-[(1R,2R,4R,10R,11S,14S,15S,19S)-15-Hydroxy-10,14-dimethyl-7-oxo-15-pentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-5,16-dienyl]propanoic acid|3-(8-Hydroxy-5a,7a-dimethyl-3-oxo-1a,3,4,5,5a,5b,6,7,7a,8,11,11a,11b,11c-tetradecahydro-1H-cyclopropa[g]chrysen-8-yl)propanoic acid|3-[(1aR,5aR,5bS,7aS,8S,11aS,11bR,11cR)-8-hydroxy-5a,7a-dimethyl-3-oxo-1a,3,4,5,5a,5b,6,7,7a,8,11,11a,11b,11c-tetradecahydro-1H-cyclopropa[g]chrysen-8-yl]propanoic acid
| Molecular Formula | C24H32O4 |
|---|---|
| Molecular Weight | 384.23007 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.23007 |
| Monoisotopic Mass | 384.23007 |
| Heavy Atoms | 28 |
| Complexity | 796.0 |
Chemical Identifiers
| CAS Number | 81844-75-9 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1[C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4CC=C[C@]5(CCC(=O)O)O)C |
| InChIKey | SIBYCALNINYGII-XBQBLZITSA-N |
Product Overview
Ro 12-2503 (CAS 81844-75-9), with molecular formula C24H32O4 and molecular weight 384.23007 g/mol. IUPAC: 3-[(1R,2R,4R,10R,11S,14S,15S,19S)-15-hydroxy-10,14-dimethyl-7-oxo-15-pentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-5,16-dienyl]propanoic acid.