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1-Dehydrotestosterone
PHCD compound ID : 3718
Chemical Names :
1-Dehydrotestosterone
Molecular Formula : C19H26O2
Molecular Weight : 286.19328
More Details :
Names & Synonyms: (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one , (8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Smiles: O=C1C=C[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)C
InChi : InChI=1S/C19H26O2/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/h7,9,11,14-17,21H,3-6,8,10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
InChi Key : InChIKey=RSIHSRDYCUFFLA-DYKIIFRCSA-N
PubChem ID : 13308
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.822300
Hydrogen bond donor count : 1 Electric dipole moment : 4.074
XLogP : 4.103 VDW volume : 297.425409
Molecular weight : 286.19328 HOMO-LUMO gap : 9.390000
Herb list :
Refrences & Litretures:
  
513.      Journal:'J. of Supercritical Fluids'      Year:'2014'      Volume:'95'      Page:'373'      DOI:'10.1016/j.sup?u.2014.08.009'      Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'
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