(1R,3aS,3bS,5S,9aR,9bS,10S,11aS)-1,10-dihydroxy-1-(2-iodoacetyl)-5,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one (CAS 85847-53-6) — formula C22H29IO4, molecular weight 484.4; category organic chemicals.
| CAS Number | 85847-53-6 |
|---|---|
| Molecular Formula | C22H29IO4 |
| Molecular Weight | 484.4 |
| LogP | 2.7 |
| Category | Organic Chemicals |
(1R,3aS,3bS,5S,9aR,9bS,10S,11aS)-1,10-dihydroxy-1-(2-iodoacetyl)-5,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one is a carbon-based organic compound with CAS registry number 85847-53-6 and molecular formula C22H29IO4 (molecular weight 484.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 85847-53-6
Its molecular formula C22H29IO4 comprises 22 C, 29 H, 1 I, 4 O atoms.
Also known as: (1R,3aS,3bS,5S,9aR,9bS,10S,11aS)-1,10-dihydroxy-1-(2-iodoacetyl)-5,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one · (1R,3aS,3bS,5S,9aR,9bS,10S,11aS)-1,10-二羟基-1-(2-碘乙酰基)-5,9a,11a-三聚体hyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-环戊[a]菲-7-酮
Category: organic chemicals
The CAS registry number of (1R,3aS,3bS,5S,9aR,9bS,10S,11aS)-1,10-dihydroxy-1-(2-iodoacetyl)-5,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one is 85847-53-6.
Molecular formula C22H29IO4, molecular weight 484.4.
It is also registered under: (1R,3aS,3bS,5S,9aR,9bS,10S,11aS)-1,10-dihydroxy-1-(2-iodoacetyl)-5,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one, (1R,3aS,3bS,5S,9aR,9bS,10S,11aS)-1,10-二羟基-1-(2-碘乙酰基)-5,9a,11a-三聚体hyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-环戊[a]菲-7-酮.
Category: Organic Chemicals.
Independent reference data for (1R,3aS,3bS,5S,9aR,9bS,10S,11aS)-1,10-dihydroxy-1-(2-iodoacetyl)-5,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one (CAS 85847-53-6), compiled from public chemistry databases.
| CAS 号 | 85847-53-6 |
|---|---|
| PubChem CID | 57004762 |
| 分子式 | C22H29IO4 |
| IUPAC 名称 | (6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-iodoacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one |
| Molecular Weight | 484.4 |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 484.11106 |
| Monoisotopic Mass | 484.11106 |
| Topological Polar Surface Area | 74.6 |
| Heavy Atom Count | 27 |
85847-53-6; RefChem:437159; 807-843-0; Methylprednisolone 21-Iodide; SCHEMBL9069841
| 已通报的危害声明 | H361 (100%), H373 (100%) |
|---|
(1R,3aS,3bS,5S,9aR,9bS,10S,11aS)-1,10-二羟基-1-(2-碘乙酰基)-5,9a,11a-三聚体hyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-环戊[a]菲-7-酮 · CAS 85847-53-6 · C22H29IO4.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.