Basic information
- CAS
600-52-2- Standard SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C- InChIKey
NFVCQZNBRFPYOP-WDDOJFKXSA-N- Molecular formula
- C21H34O3
- Average molar mass
- 334.5 g/mol
- Monoisotopic mass
- 334.25079494
Names & identifiers
- Preferred name
- 3,11-Dihydroxypregnan-20-one
- IUPAC
- 1-[(3R,5R,8S,9S,10S,11R,13S,14S,17S)-3,11-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
- English name
- 3alpha,11alpha-Dihydroxy-5beta-pregnan-20-one
- Molecular formula
- C21H34O3
- Molecular weight
- 334.49286
Names & synonyms
DTXSID2097736161791-61-53,11-Dihydroxypregnan-20-oneRefChem:1065484DTXCID1014047153alpha,11alpha-Dihydroxy-5beta-pregnan-20-oneNSC 82863600-52-25beta-Pregnan-20-one, 3alpha,11alpha-dihydroxy-NSC-82863Pregnan-20-one, 3,11-dihydroxy-, (3alpha,5beta,11alpha)-3.alpha.,11.alpha.-Dihydroxy-5.beta.-pregnan-20-one
Show more names
MLS0026945103-alpha,11-alpha-Dihydroxy-5-beta-pregnan-20-one5-beta-Pregnan-20-one, 3-alpha,11-alpha-dihydroxy-PR7CA5ZUZ6Pregnan-20-one, 3,11-dihydroxy-, (3.alpha.,5.beta.,11.alpha.)-CHEMBL23225755.beta.-Pregnan-20-one, 3.alpha.,11.alpha.-dihydroxy-NFVCQZNBRFPYOP-WDDOJFKXSA-N
Database identifiers
- CAS
600-52-2、61791-61-5- PubChem CID
- 101787
- DTXSID
DTXSID20977361- ChEMBL
CHEMBL2322575- UNII
- PR7CA5ZUZ6
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 531
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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