3alpha,11alpha-Dihydroxy-5beta-pregnan-20-one

Base Information

• Chemical Name: 3alpha,11alpha-Dihydroxy-5beta-pregnan-20-one
• CAS No.: 61791-61-5
• Molecular Formula: C3H6NNaO2
• Molecular Weight: 111.07501
• NSC Number: 82863
• DSSTox Substance ID: DTXSID20977361
• Nikkaji Number: J50.718K
• Wikidata: Q76009789
• ChEMBL ID: CHEMBL2322575
• Mol file: 61791-61-5.mol

Synonyms:NSC 82863;3alpha,11alpha-Dihydroxy-5beta-pregnan-20-one;3.alpha.,11.alpha.-Dihydroxy-5.beta.-pregnan-20-one;MLS002694510;3,11-Dihydroxypregnan-20-one;3-alpha,11-alpha-Dihydroxy-5-beta-pregnan-20-one;5-beta-Pregnan-20-one, 3-alpha,11-alpha-dihydroxy-;Pregnan-20-one, 3,11-dihydroxy-, (3.alpha.,5.beta.,11.alpha.)-;5beta-Pregnan-20-one, 3alpha,11alpha-dihydroxy-;CHEMBL2322575;5.beta.-Pregnan-20-one, 3.alpha.,11.alpha.-dihydroxy-;DTXSID20977361;NFVCQZNBRFPYOP-WDDOJFKXSA-N;Pregnan-20-one, 3,11-dihydroxy-, (3alpha,5beta,11alpha)-;NSC82863;NSC-82863;61791-61-5;5.beta.-Pregnan-20-one,11.alpha.-dihydroxy-;WLN: L E5 B666TJ A1 CQ E1 FV1 OQ;3,11-Dihydroxypregnan-20-one, (3.alpha.,5.beta.,11.alpha.)- #;Pregnan-20-one,11-dihydroxy-, (3.alpha.,5.beta.,11.alpha.)-

Chemical Property of 3alpha,11alpha-Dihydroxy-5beta-pregnan-20-one

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 334.25079494
• Heavy Atom Count: 24
• Complexity: 531

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C1CCC2C1(CC(C3C2CCC4C3(CCC(C4)O)C)O)C
• Isomeric SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C