3,17,20-Trihydroxypregnane
Basic information
- CAS
33995-20-9- Standard SMILES
CC(O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4CC(O)CC[C@]4(C)[C@H]3CC[C@@]21C- InChIKey
SCPADBBISMMJAW-JDIROBOTSA-N- Molecular formula
- C21H36O3
- Average molar mass
- 336.5 g/mol
- Monoisotopic mass
- 336.26644501
Names & identifiers
- Preferred name
- 3,17,20-Trihydroxypregnane
- IUPAC
- (8R,9S,10S,13S,14S,17R)-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
- English name
- 3,17,20-trihydroxypregnane
- Molecular weight
- 0
Names & synonyms
3,17,20-Trihydroxypregnane33995-20-93,17,20-Trioh-pregnaneRefChem:90597Pregnane-3,17,20-triolSCHEMBL4815069Pregnane-3,17,20-triol #SCPADBBISMMJAW-JDIROBOTSA-N
Database identifiers
- CAS
33995-20-9- PubChem CID
- 3082385
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 507
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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