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ScientificNameLabel
Beta-E-Santalol
PHCD compound ID : 1419
Chemical Names :
Beta-E-Santalol
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: (E)-2-methyl-5-(2-methyl-3-methylene-norbornan-2-yl)pent-2-en-1-ol , (E)-2-methyl-5-(3-methyl-2-methylene-3-bicyclo[2.2.1]heptanyl)-2-penten-1-ol , (E)-2-methyl-5-(3-methyl-2-methylidene-3-bicyclo[2.2.1]heptanyl)pent-2-en-1-ol
Smiles: OC/C(=C/CC[C@@]1(C)[C@H]2CC[C@@H](C1=C)C2)/C
InChi : InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5+/t13-,14+,15-/m1/s1
InChi Key : InChIKey=OJYKYCDSGQGTRJ-INLOORNJSA-N
PubChem ID : 5368798
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.580034
Hydrogen bond donor count : 1 Electric dipole moment : 2.112
XLogP : 4.07 VDW volume : 246.80062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.448000
Herb list :
Refrences & Litretures:
  
151.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2011'      Volume:'14'      Page:'617'      DOI:'10.1080/0972060X.2011.10643980'      Title:'Comparison of Chemical Composition of Achillea eriophora and A. wilhelmsii Grown in Wild and Cultivated Conditions in Iran'
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