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ScientificNameLabel
cubeban-11-ol
PHCD compound ID : 5272
Chemical Names :
cubeban-11-ol
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: 2-(4,10-dimethyl-7-tricyclo[4.4.0.01,5]decanyl)propan-2-ol , 2-(4,10-dimethyl-7-tricyclo[4.4.0.01,5]decanyl)-2-propanol , 2-(4,10-dimethyl-7-tricyclo[4.4.0.01,5]decanyl)propan-2-ol
Smiles: C[C@H]1CC[C@]23[C@H]1[C@H]2[C@H](CC[C@@H]3C)C(O)(C)C
InChi : InChI=1S/C15H26O/c1-9-7-8-15-10(2)5-6-11(14(3,4)16)13(15)12(9)15/h9-13,16H,5-8H2,1-4H3/t9-,10-,11-,12+,13+,15-/m0/s1
InChi Key : InChIKey=UDKJLEWHLZPFOR-YTTQYIQMSA-N
PubChem ID : 91704131
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.574388
Hydrogen bond donor count : 1 Electric dipole moment : 1.627
XLogP : 5.289 VDW volume : 239.717079
Molecular weight : 222.198365 HOMO-LUMO gap : 12.422000
Herb list :
Refrences & Litretures:
  
843.      Journal:'Journal of Essential Oil Research'      Year:'2010'      Volume:'22'      Page:'354'      DOI:'10.1080/10412905.2010.9700344'      Title:'Essential Oil Composition of Ephedra nebrodensis Tineo ex Guss. subsp. nebrodensis from Central Italy'
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