3beta-(2,3-Dihydroxypropoxy)-17beta-(3-furyl)-5beta-androstan-14beta-ol
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Basic information
- Standard SMILES
C[C@]12CC[C@H](OCC(O)CO)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccoc3)CC[C@]12O- InChIKey
IMJAJPBVFFYASN-PNCCGGKGSA-N- Molecular formula
- C26H40O5
- Average molar mass
- 432.6 g/mol
Names & identifiers
- Preferred name
- 3beta-(2,3-Dihydroxypropoxy)-17beta-(3-furyl)-5beta-androstan-14beta-ol
- IUPAC
- 3-[[(3S,5R,8R,9S,10S,13R,14S,17R)-17-(furan-3-yl)-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]propane-1,2-diol
Names & synonyms
SCHEMBL7286122IMJAJPBVFFYASN-PNCCGGKGSA-N3beta-(2,3-dihydroxypropoxy)-17beta-(3-furyl)-5beta-androstan-14beta-ol
Database identifiers
- PubChem CID
- 70045892
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 656
Related reactions
1 records
Compound notes
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