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ScientificNameLabel
B-acoradiene
PHCD compound ID : 4763
Chemical Names :
B-acoradiene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1S,4R,5S)-4-isopropenyl-1,8-dimethyl-spiro[4.5]dec-8-ene , (1S,4R,5S)-1,8-dimethyl-4-(1-methylethenyl)spiro[4.5]dec-8-ene , (1S,4R,5S)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene , (1S,4R,5S)-1,8-dimethyl-4-prop-1-en-2-yl-spiro[4.5]dec-8-ene
Smiles: CC1=CC[C@@]2(CC1)[C@@H](C)CC[C@@H]2C(=C)C
InChi : InChI=1S/C15H24/c1-11(2)14-6-5-13(4)15(14)9-7-12(3)8-10-15/h7,13-14H,1,5-6,8-10H2,2-4H3/t13-,14+,15+/m0/s1
InChi Key : InChIKey=DVBSKQAFCDJNSL-RRFJBIMHSA-N
PubChem ID : 91751401
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.072314
Hydrogen bond donor count : 0 Electric dipole moment : 0.439
XLogP : 6.149 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.350000
Herb list :
Refrences & Litretures:
  
757.      Journal:'CLINICS'      Year:'2011'      Volume:'66'      Page:'843'      DOI:'10.1590/S1807-59322011000500022'      Title:'Chemical composition of the essential oil from Kelussia odoratissima Mozaff. and the evaluation of its sedative and anxiolytic effects in mice'
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