20,20-Ethylenedioxy-2beta-methyl-5alpha-pregnane-3,11-dione
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Basic information
- Standard SMILES
C[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C5(C)OCCO5)[C@@]4(C)CC(=O)[C@@H]32)CC1=O- InChIKey
OCQZYNPPXTXHCT-PNTMOCGQSA-N- Molecular formula
- C24H36O4
- Average molar mass
- 388.5 g/mol
Names & identifiers
- Preferred name
- 20,20-Ethylenedioxy-2beta-methyl-5alpha-pregnane-3,11-dione
- IUPAC
- (2S,5S,8S,9S,10S,13S,14S,17S)-2,10,13-trimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-2,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
Names & synonyms
OCQZYNPPXTXHCT-PNTMOCGQSA-N20,20-ethylenedioxy-2beta-methyl-5alpha-pregnane-3,11-dione
Database identifiers
- PubChem CID
- 86733332
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 695
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Related reactions
1 records
Compound notes
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