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Summary

Name:5alpha-dihydronandrolone
Synonyms:(5beta,9beta,10alpha,13alpha,14beta,17beta)-17-hydroxyestran-3-one
Formula:C18 H28 O2
Formal charge:0
Molecular weight:276.414 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(5beta,9beta,10alpha,13alpha,14beta,17beta)-17-hydroxyestran-3-one
OpenEye OEToolkits2.0.7(5~{S},8~{R},9~{R},10~{S},13~{S},14~{S},17~{S})-13-methyl-17-oxidanyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-3-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C2(=O)CC1CCC3C(C1CC2)CCC4(C3CCC4O)C
InChIInChI1.03InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11,13-17,20H,2-10H2,1H3/t11-,13-,14+,15+,16-,17-,18-/m0/s1
InChIKeyInChI1.03RHVBIEJVJWNXBU-PNOKGRBDSA-N
SMILES_CANONICALCACTVS3.385C[C@]12CC[C@@H]3[C@H]4CCC(=O)C[C@@H]4CC[C@H]3[C@@H]1CC[C@@H]2O
SMILESCACTVS3.385C[C]12CC[CH]3[CH]4CCC(=O)C[CH]4CC[CH]3[CH]1CC[CH]2O
SMILES_CANONICALOpenEye OEToolkits2.0.7C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@H]3CCC(=O)C4
SMILESOpenEye OEToolkits2.0.7CC12CCC3C(C1CCC2O)CCC4C3CCC(=O)C4