Search MNXref
 Feedback

17beta-Hydroxy-2alpha,17-dimethyl-4,9(11)-androstadien-3-one

PropertiesImage
MNX_IDMNXM33686 Image of MNXM33686
referencechebi:79844
formulaC21H30O2
global charge0
mol weight314.469
InChIKeyWUWUSCYXVYUKNZ-PDFVNURISA-N
InChIInChI=1S/C21H30O2/c1-13-12-19(2)14(11-18(13)22)5-6-15-16(19)7-9-20(3)17(15)8-10-21(20,4)23/h7,11,13,15,17,23H,5-6,8-10,12H2,1-4H3/t13-,15-,17+,19+,20+,21+/m1/s1
SMILESC[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H]1C2=CC[C@@]2(C)[C@H]1CC[C@]2(C)O
MNX internals
InChI (mnx)InChI=1/C21H30O2/c1-13-12-19(2)14(11-18(13)22)5-6-15-16(19)7-9-20(3)17(15)8-10-21(20,4)23/h7,11,13,15,17,23H,5-6,8-10,12H2,1-4H3/t13-,15-,17+,19+,20+,21+/m1/s1 Image of MNXM33686
SMILES (mnx)[CH3:1][C@@H:13]1[CH2:12][C@@:19]2([CH3:2])[C:14](=[CH:11][C:18]1=[O:22])[CH2:5][CH2:6][C@@H:15]1[C:16]2=[CH:7][CH2:9][C@@:20]2([CH3:3])[C@H:17]1[CH2:8][CH2:10][C@:21]2([CH3:4])[OH:23]
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:79844
chebi:79844
kegg.compound:C15342
keggC:C15342
WUWUSCYXVYUKNZ-PDFVNURISA-N 		17beta-Hydroxy-2alpha,17-dimethyl-4,9(11)-androstadien-3-one
9(11)-Dehydro-2alpha,17-dimethyltestosterone

seed.compound:cpd11033
seedM:cpd11033
WUWUSCYXVYUKNZ-PDFVNURISA-N 		9(11)-Dehydro-2alpha,17-dimethyltestosterone
17beta-Hydroxy-2alpha,17-dimethyl-4,9(11)-androstadien-3-one

keggC:M_C15342
seedM:M_cpd11033 		secondary/obsolete/fantasy identifier