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ScientificNameLabel
b-sesquiphellandrene
PHCD compound ID : 2897
Chemical Names :
b-sesquiphellandrene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (3S)-3-[(1S)-1,5-dimethylhex-4-enyl]-6-methylene-cyclohexene , (6S)-3-methylene-6-[(2S)-6-methylhept-5-en-2-yl]cyclohexene , (3S)-3-[(2S)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene , (3S)-3-[(2S)-6-methylhept-5-en-2-yl]-6-methylidene-cyclohexene
Smiles: C[C@H]([C@@H]1CCC(=C)C=C1)CCC=C(C)C
InChi : InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14-15H,3,5,7,9,11H2,1-2,4H3/t14-,15-/m0/s1
InChi Key : InChIKey=PHWISBHSBNDZDX-GJZGRUSLSA-N
PubChem ID : 12315493
Rotatable bond count : 4 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.052256
Hydrogen bond donor count : 0 Electric dipole moment : 1.167
XLogP : 6.399 VDW volume : 247.730393
Molecular weight : 204.187801 HOMO-LUMO gap : 9.390000
Herb list :
Refrences & Litretures:
  
370.      Journal:'Asian Paicfic Journal of Tropical Biomedicine'      Year:'2012'      Volume:'2'      Page:'s695'      DOI:'10.1016/S2221-1691(12)60298-6'      Title:'Chemical composition and in vitro antioxidative potential of essential oil isolated from Curcuma longa L. leaves'
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