Basic information
- CAS
18463-32-6- Standard SMILES
C[C@@H](O)[C@H]1CC[C@]2(O)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C- InChIKey
FTIPFRDCMUGVRU-YSOIMIBMSA-N- Molecular formula
- C21H36O4
- Average molar mass
- 352.5 g/mol
- Monoisotopic mass
- 352.26135963
Names & identifiers
- Preferred name
- Dihydroboucerin
- IUPAC
- (3S,5S,8R,9S,10S,12R,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,12,14-triol
Names & synonyms
Dihydroboucerin18463-32-6Boucerin, dihydro-Pregnane-3,12,14,20-tetrolDTXSID309398545alpha,14beta-Pregnane-3beta,12beta,14,20beta-tetrol(20R)-5alpha,14beta-Pregnane-3beta,12beta,14,20-tetrolPregnane-3,12,14,20-tetrol, (3beta,5alpha,12beta,14beta,20R)-
Database identifiers
- CAS
18463-32-6- PubChem CID
- 176992
- DTXSID
DTXSID30939854
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 538
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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