Basic information
- CAS
16463-85-7- Standard SMILES
CC1(c2ccccc2)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1- InChIKey
QCYWBAOQPAOALZ-ZPHQKVKWSA-N- Molecular formula
- C29H35FO6
- Average molar mass
- 498.6 g/mol
- Monoisotopic mass
- 498.24176699
Names & identifiers
- Preferred name
- 9-Fluoro-11beta,16alpha,17,21-tetrahydroxypregn-4-ene-3,20-dione, cyclic 16,17-acetal with acetophenone
- IUPAC
- (1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,9,13-trimethyl-6-phenyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one
Names & synonyms
07X7RZ9KD7UNII-07X7RZ9KD716463-85-731790-64-49-Fluoro-11beta,16alpha,17,21-tetrahydroxypregn-4-ene-3,20-dione, cyclic 16,17-acetal with acetophenonePregn-4-ene-3,20-dione, 9-fluoro-11,21-dihydroxy-16,17-((1-phenylethylidene)bis(oxy))-, (11beta,16alpha)-DTXSID409537239alpha-Fluoro-11beta,16alpha,17,21-tetrahydroxypregn-4-ene-3,20-dione, cyclic 16,17-acetal with acetophenone, 21-acetatePregn-4-ene-3,20-dione, 21-(acetyloxy)-9-fluoro-11-hydroxy-16,17-((1-phenylethylidene)bis(oxy))-, (11beta,16alpha)-(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-4b-Fluoro-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8-trimethyl-8-phenyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one4b-Fluoro-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8-trimethyl-8-phenyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one9-FLUORO-11.BETA.,16.ALPHA.,17,21-TETRAHYDROXYPREGN-4-ENE-3,20-DIONE, CYCLIC 16,17-ACETAL WITH ACETOPHENONE
Show more names
PREGN-4-ENE-3,20-DIONE, 9-FLUORO-11,21-DIHYDROXY-16,17-((1-PHENYLETHYLIDENE)BIS(OXY))-, (11.BETA.,16.ALPHA.)-Pregn-4-ene-3,20-dione, 9-fluoro-11beta,16alpha,17,21-tetrahydroxy-, 21-acetate, 16,17-acetal with acetophenone
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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