Basic information
- CAS
22796-03-8- Standard SMILES
CC(=O)OC1CCC2C3CCc4cc(OC(=S)N(C)C)ccc4C3CCC12C- InChIKey
GQZNFJMIFMSYRX-UHFFFAOYSA-N- Molecular formula
- C23H31NO3S
- Average molar mass
- 401.6 g/mol
- Monoisotopic mass
- 401.20246502
Names & identifiers
- Preferred name
- [3-(Dimethylcarbamothioyloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
- IUPAC
- [3-(dimethylcarbamothioyloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Names & synonyms
22796-03-8NSC171718[3-(dimethylcarbamothioyloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetateDTXSID60305821NSC-1717183-[(dimethylcarbamothioyl)oxy]estra-1,3,5(10)-trien-17-yl acetate
Database identifiers
- CAS
22796-03-8- PubChem CID
- 299247
- DTXSID
DTXSID60305821
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 70.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 623
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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