20-(1,3-Dioxolan-2-yl)pregn-6-ene-1alpha,3beta,5alpha-triol
Basic information
- Standard SMILES
CC(C1OCCO1)[C@H]1CC[C@H]2[C@@H]3C=C[C@@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C- InChIKey
YMHBQUXRAQFNDQ-VZSVLSQZSA-N- Molecular formula
- C24H38O5
- Average molar mass
- 406.6 g/mol
Names & identifiers
- Preferred name
- 20-(1,3-Dioxolan-2-yl)pregn-6-ene-1alpha,3beta,5alpha-triol
- IUPAC
- (1S,3S,5S,8S,9S,10S,13S,14S,17R)-17-[1-(1,3-dioxolan-2-yl)ethyl]-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-1,3,5-triol
Names & synonyms
SCHEMBL9441136YMHBQUXRAQFNDQ-VZSVLSQZSA-N20-(1,3-dioxolan-2-yl)pregn-6-ene-1alpha,3beta,5alpha-triol
Database identifiers
- PubChem CID
- 67852995
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 674
Related reactions
3 records
Compound notes
Loading…