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ScientificNameLabel
cis-Cadin-4-en-7-ol
PHCD compound ID : 3875
Chemical Names :
cis-Cadin-4-en-7-ol
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: (1S,4S)-1-isopropyl-4,7-dimethyl-3,4,4a,5,6,8a-hexahydro-2H-naphthalen-1-ol , (1S,4S)-4,7-dimethyl-1-propan-2-yl-3,4,4a,5,6,8a-hexahydro-2H-naphthalen-1-ol
Smiles: CC1=C[C@@H]2[C@H](CC1)[C@@H](C)CC[C@]2(O)C(C)C
InChi : InChI=1S/C15H26O/c1-10(2)15(16)8-7-12(4)13-6-5-11(3)9-14(13)15/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13+,14+,15-/m0/s1
InChi Key : InChIKey=MUROKQYXIPVTGD-YJNKXOJESA-N
PubChem ID : 91746528
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.073206
Hydrogen bond donor count : 1 Electric dipole moment : 1.425
XLogP : 4.054 VDW volume : 249.437079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.502000
Herb list :
Refrences & Litretures:
  
522.      Journal:'Maced. J. Chem. Chem. Eng'      Year:'2015'      Volume:'34'      Page:'333'      DOI:''      Title:'Essential oil composition of indigenous populations of Hypericum perforatum L. from southern Albania'
864.      Journal:'CHEMISTRY &BIODIVERSITY'      Year:'2015'      Volume:'12'      Page:'1706'      DOI:'10.1002/cbdv.201400439'      Title:'Chemical Composition of Juniperus communis L. Cone Essential Oil and Its Variability among Wild Populations in Kosovo'
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