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ScientificNameLabel
isogermacrene D
PHCD compound ID : 4807
Chemical Names :
isogermacrene D
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1Z,6Z,8S)-8-isopropyl-1-methyl-5-methylene-cyclodeca-1,6-diene , (1Z,6Z,8S)-1-methyl-5-methylene-8-propan-2-ylcyclodeca-1,6-diene , (1Z,6Z,8S)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene , (1Z,6Z,8S)-1-methyl-5-methylidene-8-propan-2-yl-cyclodeca-1,6-diene
Smiles: CC1=CCCC(=C)C=C[C@@H](CC1)C(C)C
InChi : InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h7-8,10,12,15H,3,5-6,9,11H2,1-2,4H3/b10-8-,14-7-/t15-/m0/s1
InChi Key : InChIKey=GAIBLDCXCZKKJE-ACWLMNNXSA-N
PubChem ID : 91723653
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.105042
Hydrogen bond donor count : 0 Electric dipole moment : 0.842
XLogP : 6.294 VDW volume : 247.730393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.000000
Herb list :
Refrences & Litretures:
  
777.      Journal:'Molecules'      Year:'2009'      Volume:'14'      Page:'1438'      DOI:'10.3390/molecules14041438'      Title:'Chemical Composition and Biological Activities of Essential Oil from Salvia sclarea Plants Regenerated in vitro'
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