Basic information
- CAS
53649-14-2- Standard SMILES
C[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C- InChIKey
XKASGEXHNLDQIB-ZPPBZJDISA-N- Molecular formula
- C20H33FO3
- Average molar mass
- 340.5 g/mol
- Monoisotopic mass
- 340.24137307
Overview
9-fluoro-17-methyl-5beta-androstane-3alpha,11beta,17beta-triol is a 17beta-hydroxy steroid, an 11beta-hydroxy steroid, a 3alpha-hydroxy steroid, an androstanoid and a fluorinated steroid.
Names & identifiers
- Preferred name
- 9-Fluoro-17-methyl-5beta-androstane-3alpha,11beta,17beta-triol
- IUPAC
- (3R,5R,8S,9R,10S,11S,13S,14S,17S)-9-fluoro-10,13,17-trimethyl-2,3,4,5,6,7,8,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11,17-triol
- English name
- 9-fluoro-10,13,17-trimethyl-2,3,4,5,6,7,8,11,12,14,15,16-dodecahydro-1 H-cyclopenta[a]phenanthrene-3,11,17-triol
- Molecular formula
- C20H33FO3
- Molecular weight
- 340.47
Names & synonyms
53649-14-29-fluoro-17-methyl-5beta-androstane-3alpha,11beta,17beta-triol9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha,11beta,17-triol(3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol(3R,5R,8S,9R,10S,11S,13S,14S,17S)-9-fluoro-10,13,17-trimethyl-2,3,4,5,6,7,8,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11,17-triolNSC 23596CHEBI:34003DTXSID101174708NSC23596NSC-23596Androstane-3,11,17-triol, 9-fluoro-17-methyl-, (3alpha,5beta,11beta,17beta)-FF103008
Show more names
Androstane-3,11,17-triol, 9-fluoro-17-methyl-, (3α,5β,11β,17β)- (9CI)9-fluoro-10,13,17-trimethyl-2,3,4,5,6,7,8,11,12,14,15,16-dodecahydro-1 H-cyclopenta[a]phenanthrene-3,11,17-triol
Q271157449-Fluoro-17alpha-methyl-5beta-androstane-3alpha,11beta,17beta-triolAndrostane-3,11,17-triol, 9-fluoro-17-methyl-, (3I+/-,5I(2),11I(2),17I(2))-Androstane-3,17-triol, 9-fluoro-17-methyl-, (3.alpha.,5.beta.,11.beta.,17.beta.)-9-fluoro-10,13,17-trimethyl-2,3,4,5,6,7,8,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11,17-triol
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 541
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Additional notes
DefinitionChEBI: 9-fluoro-17-methyl-5beta-androstane-3alpha,11beta,17beta-triol is a 3alpha-hydroxy steroid, an 11beta-hydroxy steroid, a 17beta-hydroxy steroid, an androstanoid and a fluorinated steroid.
Related reactions
0 records
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Compound notes
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