Reichstein's substance E
17-(1,2-dihydroxyethyl)-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: 20-Hydroxycortisol|20|A-Dihydrocortisol|Reichstein's substance E|NCIOpen2_009098|5,5,5-TRIFLUORO-4-OXOPENTANOICACID|17-(1,2-dihydroxy-ethyl)-11,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one|17-(1,2-dihydroxyethyl)-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one|4-PREGNEN-11-BETA, 17,20-BETA, 21-TETROL-3-ONE;4-PREGNEN-11BETA,17ALPHA,20BETA,21-TETROL-3-ONE;20-BETA-DIHYDROCORTISOL;REICHSTEIN'S COMPOUND ''E'';REICHSTEIN'S SUBSTANCE 'E';11-beta,17-alpha-20-beta,21-tetrahydroxypregn-4-en-3-one;4-pregnene-11B,17A,20B,
| Molecular Formula | C21H32O5 |
|---|---|
| Molecular Weight | 364.22498 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 364.22498 |
| Monoisotopic Mass | 364.22498 |
| Heavy Atoms | 26 |
| Complexity | 644.0 |
Chemical Identifiers
| CAS Number | 116-58-5 |
|---|---|
| SMILES | CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(CO)O)O)C)O |
| InChIKey | AWWCEQOCFFQUKS-UHFFFAOYSA-N |
Product Overview
Reichstein's substance E (CAS 116-58-5), with molecular formula C21H32O5 and molecular weight 364.22498 g/mol. IUPAC: 17-(1,2-dihydroxyethyl)-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one.
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