(16alpha)-16,21-Bis(acetyloxy)-9-fluoro-11,17-dihydroxypregna-1,4-diene-3,20-dione

HCID 165367671

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 1229519-03-2
Standard SMILES: CC(=O)OCC(=O)[C@@]1(O)[C@H](OC(C)=O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)C(O)C[C@@]21C
InChIKey: XGMPVBXKDAHORN-MMSCXOOMSA-N
Molecular formula: C25H31FO8
Average molar mass: 478.5 g/mol
Monoisotopic mass: 478.2002961

Names & identifiers

Preferred name: (16alpha)-16,21-Bis(acetyloxy)-9-fluoro-11,17-dihydroxypregna-1,4-diene-3,20-dione
IUPAC: [2-[(8S,9S,10S,13S,14S,16R,17S)-16-acetyloxy-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

Names & synonyms

DTXSID30859068(16alpha)-16,21-Bis(acetyloxy)-9-fluoro-11,17-dihydroxypregna-1,4-diene-3,20-dione9-Fluoro-11,17-dihydroxy-3,20-dioxo-9beta,16alpha-pregna-1,4-diene-16,21-diyl diacetate1229519-03-2

Database identifiers

CAS: 1229519-03-2
PubChem CID: 165367671
DTXSID: DTXSID30859068

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 127 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 9
Rotatable bonds: 6
Heavy atoms: 34
Formal charge: 0
Complexity: 1,020

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…