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trans-Muurola-3.5-diene
PHCD compound ID : 5209
Chemical Names :
trans-Muurola-3.5-diene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (8S)-5-isopropyl-3,8-dimethyl-1,2,3,7,8,8a-hexahydronaphthalene , (8S)-3,8-dimethyl-5-propan-2-yl-1,2,3,7,8,8a-hexahydronaphthalene , (8S)-3,8-dimethyl-5-propan-2-yl-1,2,3,7,8,8a-hexahydronaphthalene
Smiles: C[C@H]1CC[C@H]2C(=C1)C(=CC[C@@H]2C)C(C)C
InChi : InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h8-12,14H,5-7H2,1-4H3/t11-,12-,14+/m0/s1
InChi Key : InChIKey=NTWBICNIZKFDJV-SGMGOOAPSA-N
PubChem ID : 91753478
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.575880
Hydrogen bond donor count : 0 Electric dipole moment : 0.355
XLogP : 6.415 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 9.167000
Herb list :
Refrences & Litretures:
  
824.      Journal:'Macedonian pharmaceutical bulletin'      Year:'2014'      Volume:'60'      Page:'45'      DOI:''      Title:'Chemical composition of Chenopodium botrys L. (Chenopodiaceae) essential oil'
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