Aldosterone monohydrate
Basic information
- CAS
34784-10-6- Standard SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C=O)[C@@H](C(=O)CO)CC[C@@H]12.O- InChIKey
MGAYWZHZEPDFNN-BXPDFGANSA-N- Molecular formula
- C21H30O6
- Average molar mass
- 378.5 g/mol
- Monoisotopic mass
- 378.20423867
Names & identifiers
- Preferred name
- Aldosterone monohydrate
- IUPAC
- (8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde;hydrate
Names & synonyms
aldosterone monohydrateDTXSID7085897411beta,21-Dihydroxy-3,20-dioxopregn-4-en-18-al--water (1/1)34784-10-6
Database identifiers
- CAS
34784-10-6- PubChem CID
- 129656384
- DTXSID
DTXSID70858974
Properties
Computed structural properties
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 682
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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