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ScientificNameLabel
Beta-Helmiscapene
PHCD compound ID : 3302
Chemical Names :
Beta-Helmiscapene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (4aR,7S,8aR)-7-isopropenyl-4a-methyl-1-methylene-decalin , (3S,4aR,8aR)-8a-methyl-5-methylene-3-(1-methylethenyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene , (3S,4aR,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene
Smiles: C=C1CCC[C@]2([C@@H]1C[C@H](CC2)C(=C)C)C
InChi : InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h13-14H,1,3,5-10H2,2,4H3/t13-,14+,15+/m0/s1
InChi Key : InChIKey=YOVSPTNQHMDJAG-RRFJBIMHSA-N
PubChem ID : 12309814
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.545937
Hydrogen bond donor count : 0 Electric dipole moment : 0.722
XLogP : 6.19 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.777000
Herb list :
Refrences & Litretures:
  
449.      Journal:'Molecules'      Year:'2010'      Volume:'15'      Page:'6411'      DOI:'10.3390/molecules15096411'      Title:'Chemical Analysis and Biological Activity of the Essential Oils of Two Valerianaceous Species from China: Nardostachys chinensis and Valeriana officinalis'
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