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ScientificNameLabel
silphin-1-ene
PHCD compound ID : 2130
Chemical Names :
silphin-1-ene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1R,3aS,5aS,8aR)-1,4,4,5a-tetramethyl-1,2,3,3a,5,6-hexahydrocyclopenta[h]pentalene
Smiles: C[C@@H]1CC[C@@H]2[C@@]31C=CC[C@@]3(C)CC2(C)C
InChi : InChI=1S/C15H24/c1-11-6-7-12-13(2,3)10-14(4)8-5-9-15(11,12)14/h5,9,11-12H,6-8,10H2,1-4H3/t11-,12+,14+,15+/m1/s1
InChi Key : InChIKey=VHIAMHVUKUKCHP-DHMWGJHJSA-N
PubChem ID : 13919649
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.350883
Hydrogen bond donor count : 0 Electric dipole moment : 0.540
XLogP : 6.947 VDW volume : 228.290393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.704000
Herb list :
Refrences & Litretures:
  
254.      Journal:'Journal of Essential Oil Research'      Year:'2011'      Volume:'23'      Page:'91'      DOI:'10.1080/10412905.2011.9700432'      Title:'Constituents of the Essential Oil from Hairy Roots and Plant Roots of Arnica montana L'
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