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17beta-Hydroxy-7alpha-methylandrost-1,4-diene-3-one

PropertiesImage
MNX_IDMNXM33718 Image of MNXM33718
referencechebi:79809
formulaC20H28O2
global charge0
mol weight300.442
InChIKeyYQVYJAMTSLBOFT-UQYBFTDGSA-N
InChIInChI=1S/C20H28O2/c1-12-10-13-11-14(21)6-8-19(13,2)16-7-9-20(3)15(18(12)16)4-5-17(20)22/h6,8,11-12,15-18,22H,4-5,7,9-10H2,1-3H3/t12-,15+,16+,17+,18+,19+,20+/m1/s1
SMILESC[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
MNX internals
InChI (mnx)InChI=1/C20H28O2/c1-12-10-13-11-14(21)6-8-19(13,2)16-7-9-20(3)15(18(12)16)4-5-17(20)22/h6,8,11-12,15-18,22H,4-5,7,9-10H2,1-3H3/t12-,15+,16+,17+,18+,19+,20+/m1/s1 Image of MNXM33718
SMILES (mnx)[CH3:1][C@@H:12]1[CH2:10][C:13]2=[CH:11][C:14](=[O:21])[CH:6]=[CH:8][C@:19]2([CH3:2])[C@H:16]2[CH2:7][CH2:9][C@@:20]3([CH3:3])[C@@H:15]([CH2:4][CH2:5][C@@H:17]3[OH:22])[C@H:18]12
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:79809
chebi:79809
kegg.compound:C15307
keggC:C15307
YQVYJAMTSLBOFT-UQYBFTDGSA-N 		17beta-Hydroxy-7alpha-methylandrost-1,4-diene-3-one
1-Dehydro-7alpha-methyltestosterone

seed.compound:cpd10998
seedM:cpd10998
YQVYJAMTSLBOFT-UQYBFTDGSA-N 		1-Dehydro-7alpha-methyltestosterone
17beta-Hydroxy-7alpha-methylandrost-1,4-diene-3-one

keggC:M_C15307
seedM:M_cpd10998 		secondary/obsolete/fantasy identifier