11,17-Dihydroxypregnane-3,20-dione
Basic information
- CAS
74263-44-8- Standard SMILES
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C- InChIKey
PSGMYFWTNUYMPH-NMTVKYIQSA-N- Molecular formula
- C21H32O4
- Average molar mass
- 348.5 g/mol
- Monoisotopic mass
- 348.2300595
Names & identifiers
- Preferred name
- 11,17-Dihydroxypregnane-3,20-dione
- IUPAC
- (5R,8S,9S,10S,11S,13S,14S,17R)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Names & synonyms
74263-44-8NSC973611,17-dihydroxypregnane-3,20-dioneDTXSID60995781NSC-9736NSC23446NSC-2344611beta,17-Dihydroxy-5beta-pregnane-3,20-dione
Database identifiers
- CAS
74263-44-8- PubChem CID
- 222809
- DTXSID
DTXSID60995781
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 615
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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