11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-octanoate (CAS 85959-58-6) — formula C29H42O6, molecular weight 486.6; category organic chemicals.
| CAS Number | 85959-58-6 |
|---|---|
| Molecular Formula | C29H42O6 |
| Molecular Weight | 486.6 |
| LogP | 5.4 |
| Category | Organic Chemicals |
11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-octanoate is a carbon-based organic compound with CAS registry number 85959-58-6 and molecular formula C29H42O6 (molecular weight 486.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 85959-58-6
Its molecular formula C29H42O6 comprises 29 C, 42 H, 6 O atoms.
Also known as: 11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-octanoate · 11β,17,21-三羟基孕-1,4-二烯-3,20-二酮21-辛酸酯
Category: organic chemicals
The CAS registry number of 11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-octanoate is 85959-58-6.
Molecular formula C29H42O6, molecular weight 486.6.
It is also registered under: 11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-octanoate, 11β,17,21-三羟基孕-1,4-二烯-3,20-二酮21-辛酸酯.
Category: Organic Chemicals.
Independent reference data for 11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-octanoate (CAS 85959-58-6), compiled from public chemistry databases.
| CAS 号 | 85959-58-6 |
|---|---|
| PubChem CID | 10480577 |
| 分子式 | C29H42O6 |
| IUPAC 名称 | [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] octanoate |
| UNII（FDA） | NS00064817 |
| Molecular Weight | 486.6 |
|---|---|
| XLogP3 | 5.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 10 |
| Exact Mass | 486.29813906 |
| Monoisotopic Mass | 486.29813906 |
| Topological Polar Surface Area | 101 |
| Heavy Atom Count | 35 |
85959-58-6; EINECS 289-053-0; 11beta,17,21-Trihydroxypregna-1,4-diene-3,20-dione 21-octanoate; DTXSID701006549; NS00064817; 11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl octanoate; 11beta,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl octanoate
11β,17,21-三羟基孕-1,4-二烯-3,20-二酮21-辛酸酯 · CAS 85959-58-6 · C29H42O6. UNII NS00064817.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.