2,11,17,21-Tetrahydroxypregn-4-ene-3,20-dione
Basic information
- CAS
520-84-3- Standard SMILES
CC12CC(O)C(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO- InChIKey
RORUGVXGZMMYON-UHFFFAOYSA-N- Molecular formula
- C21H30O6
- Average molar mass
- 378.5 g/mol
- Monoisotopic mass
- 378.20423867
Names & identifiers
- Preferred name
- 2,11,17,21-Tetrahydroxypregn-4-ene-3,20-dione
- IUPAC
- 2,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Names & synonyms
2,11,17,21-tetrahydroxypregn-4-ene-3,20-dioneDTXSID609663352Alpha,11beta,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione
Database identifiers
- CAS
520-84-3- PubChem CID
- 268259
- DTXSID
DTXSID60966335
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 715
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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