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ScientificNameLabel
(Z)-beta-santalol
PHCD compound ID : 5224
Chemical Names :
(Z)-beta-santalol
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: (Z)-2-methyl-5-[(1R,2R,4S)-2-methyl-3-methylene-norbornan-2-yl]pent-2-en-1-ol , (Z)-2-methyl-5-[(1R,2R,4S)-2-methyl-3-methylene-2-bicyclo[2.2.1]heptanyl]-2-penten-1-ol , (Z)-2-methyl-5-[(1R,2R,4S)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol , (Z)-2-methyl-5-[(1R,2R,4S)-2-methyl-3-methylidene-2-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-/m0/s1
InChi Key : InChIKey=OJYKYCDSGQGTRJ-UGJHJVKRSA-N
PubChem ID : 11031396
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.484495
Hydrogen bond donor count : 1 Electric dipole moment : 1.434
XLogP : 4.07 VDW volume : 246.80062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.458000
Herb list :
Refrences & Litretures:
  
827.      Journal:'Journal of Essential Oil Research'      Year:'2003'      Volume:'15'      Page:'193'      DOI:'10.1080/10412905.2003.9712110'      Title:'Chemical Composition of the Essential Oils of Chenopodium botrys L. from Two Different Locations in Iran'
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