(20S)-17,20,21-trihydroxypregn-4-en-3-one (CAS 3946-10-9) — formula C21H32O4, molecular weight 348.5; category organic chemicals.
| CAS Number | 3946-10-9 |
|---|---|
| Molecular Formula | C21H32O4 |
| Molecular Weight | 348.5 |
| LogP | 2 |
| Category | Organic Chemicals |
(20S)-17,20,21-trihydroxypregn-4-en-3-one is a carbon-based organic compound with CAS registry number 3946-10-9 and molecular formula C21H32O4 (molecular weight 348.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 3946-10-9
Its molecular formula C21H32O4 comprises 21 C, 32 H, 4 O atoms.
Also known as: (20S)-17,20,21-trihydroxypregn-4-en-3-one · (20S)-17,20,21-三羟基孕-4-en-3-酮
Category: organic chemicals
The CAS registry number of (20S)-17,20,21-trihydroxypregn-4-en-3-one is 3946-10-9.
Molecular formula C21H32O4, molecular weight 348.5.
It is also registered under: (20S)-17,20,21-trihydroxypregn-4-en-3-one, (20S)-17,20,21-三羟基孕-4-en-3-酮.
Category: Organic Chemicals.
Independent reference data for (20S)-17,20,21-trihydroxypregn-4-en-3-one (CAS 3946-10-9), compiled from public chemistry databases.
| CAS 号 | 3946-10-9 |
|---|---|
| PubChem CID | 107483 |
| 分子式 | C21H32O4 |
| IUPAC 名称 | (8R,9S,10R,13S,14S,17R)-17-[(1S)-1,2-dihydroxyethyl]-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one |
| UNII（FDA） | NS00050002 |
| Molecular Weight | 348.5 |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 348.23005950 |
| Monoisotopic Mass | 348.23005950 |
| Topological Polar Surface Area | 77.8 |
| Heavy Atom Count | 25 |
| Collision Cross Section | 189.35 Ų [M-H]- |
|---|---|
| Collision Cross Section | 198.78 Ų [M+HCOO]- |
| Collision Cross Section | 195.41 Ų [M+Cl]- |
(20S)-17,20,21-Trihydroxypregn-4-en-3-one; 3946-10-9; SCHEMBL751354; XNFSGLNHLVHCFT-MQWPULPWSA-N; DTXSID001369633; EINECS 223-536-9; FP65647; 4-Pregnen-17alpha,20alpha,21-triol-3-one; NS00050002; 17-alpha, 20-beta, 21-trihydroxypreg-4-en-3-one
(20S)-17,20,21-三羟基孕-4-en-3-酮 · CAS 3946-10-9 · C21H32O4. UNII NS00050002. Collision Cross Section: 189.35 Ų [M-H]-; Collision Cross Section: 198.78 Ų [M+HCOO]-; Collision Cross Section: 195.41 Ų [M+Cl]-.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.