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ScientificNameLabel
copane
PHCD compound ID : 1048
Chemical Names :
copane
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms:
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-BTFPBAQTSA-N
PubChem ID : 12303902
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.980021
Hydrogen bond donor count : 0 Electric dipole moment : 0.437
XLogP : 6.499 VDW volume : 228.290393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.331000
Herb list :
Refrences & Litretures:
  
108.      Journal:'Journal of Medicinal Plants Studies'      Year:'2015'      Volume:'3'      Page:'61'      DOI:''      Title:'Changes in content and chemical composition of Dracocephalum moldavica L. essential oil at different harvest dates'
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