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ScientificNameLabel
Alpha-Yilangene
PHCD compound ID : 5373
Chemical Names :
Alpha-Yilangene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1S,2S,6S,7R,8R)-8-isopropyl-1,3-dimethyl-tricyclo[4.4.0.02,7]dec-3-ene , (1S,2S,6S,7R,8R)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene , (1S,2S,6S,7R,8R)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene , (1S,2S,6S,7R,8R)-1,3-dimethyl-8-propan-2-yl-tricyclo[4.4.0.02,7]dec-3-ene
Smiles: CC([C@@H]1CC[C@]2([C@H]3[C@@H]1[C@@H]2C(=CC3)C)C)C
InChi : InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13+,14-,15-/m0/s1
InChi Key : InChIKey=VLXDPFLIRFYIME-QRTUWBSPSA-N
PubChem ID : 101607926
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.985212
Hydrogen bond donor count : 0 Electric dipole moment : 0.437
XLogP : 6.499 VDW volume : 228.290393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.340000
Herb list :
Refrences & Litretures:
  
884.      Journal:'Fitoterapia'      Year:'2003'      Volume:'74'      Page:'170'      DOI:'10.1016/S0367-326X(02)00318-0'      Title:'Chemical composition and antifungal properties of essential oils of three Pistacia species'
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