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6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one

PropertiesImage
MNX_IDMNXM38518 Image of MNXM38518
referencechebi:79854
formulaC20H26Br2O2
global charge0
mol weight458.234
InChIKeyXDDMZNADWGQPRQ-CERPAYOZSA-N
InChIInChI=1S/C20H26Br2O2/c1-19-7-5-11(23)9-16(19)13(18(21)22)10-12-14-3-4-17(24)20(14,2)8-6-15(12)19/h9,12,14-15,17,24H,3-8,10H2,1-2H3/t12-,14-,15-,17-,19+,20-/m0/s1
SMILESC[C@]12CC[C@H]3[C@@H](CC(=C(Br)Br)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O
MNX internals
InChI (mnx)InChI=1/C20H26Br2O2/c1-19-7-5-11(23)9-16(19)13(18(21)22)10-12-14-3-4-17(24)20(14,2)8-6-15(12)19/h9,12,14-15,17,24H,3-8,10H2,1-2H3/t12-,14-,15-,17-,19+,20-/m0/s1 Image of MNXM38518
SMILES (mnx)[CH3:1][C@:19]12[CH2:7][CH2:5][C:11](=[O:23])[CH:9]=[C:16]1[C:13](=[C:18]([Br:21])[Br:22])[CH2:10][C@H:12]1[C@@H:14]3[CH2:3][CH2:4][C@H:17]([OH:24])[C@@:20]3([CH3:2])[CH2:8][CH2:6][C@@H:15]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:79854
chebi:79854
kegg.compound:C15352
keggC:C15352
XDDMZNADWGQPRQ-CERPAYOZSA-N 		6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one
6-(Dibromomethylene)testosterone

seed.compound:cpd11043
seedM:cpd11043
XDDMZNADWGQPRQ-CERPAYOZSA-N 		6-(Dibromomethylene)testosterone
6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one

keggC:M_C15352
seedM:M_cpd11043 		secondary/obsolete/fantasy identifier