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BDT

Summary
Name:5-beta-DIHYDROTESTOSTERONE
Synonyms:(5beta,8alpha,17beta)-17-hydroxyandrostan-3-one
Formula:C19 H30 O2
Formal charge:0
Formula weight:290.44 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(5beta,8alpha,17beta)-17-hydroxyandrostan-3-one
OpenEye OEToolkits1.5.0(5R,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C2CC1CCC3C(C1(C)CC2)CCC4(C3CCC4O)C
SMILES_CANONICALCACTVS3.341C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
SMILESCACTVS3.341C[C]12CC[CH]3[CH](CC[CH]4CC(=O)CC[C]34C)[CH]1CC[CH]2O
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C
SMILESOpenEye OEToolkits1.5.0CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4O)C
InChIInChI1.03InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14+,15+,16+,17+,18+,19+/m1/s1
InChIKeyInChI1.03NVKAWKQGWWIWPM-MISPCMORSA-N

217157

PDB entries from 2024-03-13

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