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ScientificNameLabel
Alpha-Humulene hydrate
PHCD compound ID : 2832
Chemical Names :
Alpha-Humulene hydrate
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: (4E,7E)-1,5,9,9-tetramethylcycloundeca-4,7-dien-1-ol , (4E,7E)-1,5,9,9-tetramethyl-1-cycloundeca-4,7-dienol
Smiles: CC1=CCC[C@](C)(O)CCC(C=CC1)(C)C
InChi : InChI=1S/C15H26O/c1-13-7-5-9-14(2,3)11-12-15(4,16)10-6-8-13/h5,8-9,16H,6-7,10-12H2,1-4H3/b9-5+,13-8+/t15-/m0/s1
InChi Key : InChIKey=YWVKKLNWTBCDCI-ABXIKQRGSA-N
PubChem ID : 91753605
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.943263
Hydrogen bond donor count : 1 Electric dipole moment : 1.653
XLogP : 4.726 VDW volume : 259.157079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.120000
Herb list :
Refrences & Litretures:
  
341.      Journal:'Journal of Brewing and Distilling'      Year:'2011'      Volume:'2'      Page:'16'      DOI:''      Title:'Volatile components of aroma hops (Humulus lupulus L.) commonly used in beer brewing'
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