Basic information
- CAS
20867-15-6- Standard SMILES
CC(=O)C1(O)CCC2C3CC=C4CC(OC=O)CCC4(C)C3CCC21C- InChIKey
LIQRRNOQIKMVTQ-UHFFFAOYSA-N- Molecular formula
- C22H32O4
- Average molar mass
- 360.5 g/mol
- Monoisotopic mass
- 360.2300595
Names & identifiers
- Preferred name
- 17-Hydroxy-20-oxopregn-5-en-3-yl formate
- IUPAC
- (17-acetyl-17-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl) formate
Names & synonyms
17-hydroxy-20-oxopregn-5-en-3-yl formateDTXSID60943121
Database identifiers
- CAS
20867-15-6- PubChem CID
- 89397
- DTXSID
DTXSID60943121
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 655
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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