Basic information
- Standard SMILES
C/C(=C\[C@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)CO- InChIKey
DFVIMZYLMMBGFX-HYMPACJCSA-N- Molecular formula
- C23H38O3
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.28209507
Names & identifiers
- Preferred name
- (E)-21-hydroxymethyl-21-methyl-5beta-pregn-20-ene-3beta,14beta-diol
- IUPAC
- (3S,5R,8R,9S,10S,13R,14S,17R)-17-[(E)-3-hydroxy-2-methylprop-1-enyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol
Names & synonyms
SCHEMBL7437028DFVIMZYLMMBGFX-HYMPACJCSA-N(E)-21-hydroxymethyl-21-methyl-5beta-pregn-20-ene-3beta,14beta-diol
Database identifiers
- PubChem CID
- 10690052
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 586
Related reactions
2 records
Compound notes
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