Basic information
- CAS
69822-89-5- Standard SMILES
CC12CCC(=O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)Cn1c(=O)cc[nH]c1=O- InChIKey
XRXBEYJDVHOGHO-UHFFFAOYSA-N- Molecular formula
- C25H30N2O6
- Average molar mass
- 454.5 g/mol
- Monoisotopic mass
- 454.21038668
Names & identifiers
- Preferred name
- 3-[2-(17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
- IUPAC
- 3-[2-(17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
Names & synonyms
NSC28183969822-89-5DTXSID20314292NSC-28183921-(2,6-Dioxo-3,6-dihydropyrimidin-1(2H)-yl)-17-hydroxypregn-4-ene-3,11,20-trione
Database identifiers
- CAS
69822-89-5- PubChem CID
- 323091
- DTXSID
DTXSID20314292
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…