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14-Hydroxy-(E)-caryophyllene
PHCD compound ID : 2834
Chemical Names :
14-Hydroxy-(E)-caryophyllene
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: [(7E)-2,10,10-trimethyl-6-bicyclo[7.2.0]undec-7-enyl]methanol
Smiles: OC[C@@H]1CCC[C@H]([C@H]2[C@H](C=C1)C(C2)(C)C)C
InChi : InChI=1S/C15H26O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h7-8,11-14,16H,4-6,9-10H2,1-3H3/b8-7+/t11-,12-,13+,14+/m1/s1
InChi Key : InChIKey=GMTOMMKQRBMRFT-VYIQWWAQSA-N
PubChem ID : 20837837
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.223987
Hydrogen bond donor count : 1 Electric dipole moment : 2.620
XLogP : 5.427 VDW volume : 249.437079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.127000
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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