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5beta-pregnane-3alpha,17alpha,20alpha-triol · CAS 1098-45-9 · C21H36O3. UNII 43822S61TB.
| CAS Registry Number | 1098-45-9 |
|---|---|
| PubChem CID | 101967 |
| Molecular formula | C21H36O3 |
| IUPAC name | (3R,5R,8R,9S,10S,13S,14S,17R)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol |
| UNII (FDA) | 43822S61TB |
| Molecular Weight | 336.5 |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 336.26644501 |
| Monoisotopic Mass | 336.26644501 |
| Topological Polar Surface Area | 60.7 |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Reported hazard statements | H302 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
PREGNANETRIOL; 1098-45-9; 5Beta-pregnane-3alpha,17alpha,20alpha-triol; NSC-52760; 43822S61TB; DTXSID00911364; Pregnane-3,17,20-triol, (3alpha,5beta,20S)-; 5-beta-Pregnane-3,17,20-triol; RefChem:175847; DTXCID601340401; 214-148-0; PREGNANTRIOL; Pregnane-3,17,20-triol, (3.alpha.,5.beta.,20S)-; 5-beta-Pregnane-3-alpha,17-alpha,20-alpha-triol; 5.beta.-pregnane-3.alpha.,17.alpha.,20.alpha.-triol; UNII-43822S61TB
CAS 1098-45-9; molecular formula C21H36O3; molecular weight — g/mol.
PREGNANETRIOL, 1098-45-9, 5Beta-pregnane-3alpha,17alpha,20alpha-triol, NSC-52760, 43822S61TB, DTXSID00911364.
Hazard statements reported: H302.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.