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ScientificNameLabel
Occidentalol
PHCD compound ID : 3065
Chemical Names :
Occidentalol
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: 2-[(2R,4aR,8aS)-4a,8-dimethyl-2,3,4,8a-tetrahydro-1H-naphthalen-2-yl]propan-2-ol , 2-[(2R,4aR,8aS)-4a,8-dimethyl-2,3,4,8a-tetrahydro-1H-naphthalen-2-yl]-2-propanol
Smiles: CC1=CC=C[C@@]2([C@H]1C[C@@H](CC2)C(O)(C)C)C
InChi : InChI=1S/C15H24O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h5-6,8,12-13,16H,7,9-10H2,1-4H3/t12-,13+,15+/m1/s1
InChi Key : InChIKey=AMZWKSYAMHGGSR-IPYPFGDCSA-N
PubChem ID : 11138655
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.644927
Hydrogen bond donor count : 1 Electric dipole moment : 2.276
XLogP : 4.143 VDW volume : 246.80062
Molecular weight : 220.182715 HOMO-LUMO gap : 9.149000
Herb list :
Refrences & Litretures:
  
395.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2009'      Volume:'12'      Page:'111'      DOI:'10.1080/0972060X.2009.10643700'      Title:'Chemical Composition and Antimicrobial Activity of Essential Oil of Hyssopus angustifolius M.B'
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