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(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol

PropertiesImage
MNX_IDMNXM31044 Image of MNXM31044
referencechebi:79410
formulaC20H33FO3
global charge0
mol weight340.479
InChIKeyXKASGEXHNLDQIB-AYWFNIBGSA-N
InChIInChI=1S/C20H33FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h12-16,22-24H,4-11H2,1-3H3/t12-,13-,14-,15-,16-,17-,18-,19-,20-/m0/s1
SMILESC[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
MNX internals
InChI (mnx)InChI=1/C20H33FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h12-16,22-24H,4-11H2,1-3H3/t12-,13-,14-,15-,16-,17-,18-,19-,20-/m0/s1 Image of MNXM31044
SMILES (mnx)[CH3:1][C@:17]12[CH2:8][CH2:6][C@H:13]([OH:22])[CH2:10][C@@H:12]1[CH2:4][CH2:5][C@H:15]1[C@@H:14]3[CH2:7][CH2:9][C@:19]([CH3:3])([OH:24])[C@@:18]3([CH3:2])[CH2:11][C@H:16]([OH:23])[C@@:20]12[F:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:79410
chebi:79410
kegg.compound:C14883
keggC:C14883
XKASGEXHNLDQIB-AYWFNIBGSA-N 		(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
9-Fluoro-17alpha-methyl-5alpha-androstane-3beta,11beta,17-triol

seed.compound:cpd10580
seedM:cpd10580
XKASGEXHNLDQIB-AYWFNIBGSA-N 		9-Fluoro-17alpha-methyl-5alpha-androstane-3beta,11beta,17-triol
(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17- triol
(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol

keggC:M_C14883
seedM:M_cpd10580 		secondary/obsolete/fantasy identifier