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ScientificNameLabel
cis-14-nor-muurol-5-en-4-one
PHCD compound ID : 1280
Chemical Names :
cis-14-nor-muurol-5-en-4-one
Molecular Formula : C14H22O1
Molecular Weight : 206.167065
More Details :
Names & Synonyms: (4aS,5R,8R)-8-isopropyl-5-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one , (4aS,5R,8R)-5-methyl-8-propan-2-yl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
Smiles: O=C1CC[C@@H]2C(=C1)[C@H](CC[C@H]2C)C(C)C
InChi : InChI=1S/C14H22O/c1-9(2)12-6-4-10(3)13-7-5-11(15)8-14(12)13/h8-10,12-13H,4-7H2,1-3H3/t10-,12-,13+/m1/s1
InChi Key : InChIKey=AQNMVDGKNNYAEW-RTXFEEFZSA-N
PubChem ID : 12612679
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.704639
Hydrogen bond donor count : 0 Electric dipole moment : 5.007
XLogP : 4.154 VDW volume : 229.504635
Molecular weight : 206.167065 HOMO-LUMO gap : 9.792000
Herb list :
Refrences & Litretures:
  
136.      Journal:'J. Essent. Oil Res'      Year:'2006'      Volume:'18'      Page:'164'      DOI:'10.1080/10412905.2006.9699055'      Title:'Essential Oil Composition of Lallemantia iberica Fisch. et C.A. Mey'
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