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ScientificNameLabel
(-)-alpha-Gurjunene
PHCD compound ID : 5079
Chemical Names :
(-)-alpha-Gurjunene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1aR,4R,4aR,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7b-octahydrocyclopropa[e]azulene , (1aR,4R,4aR,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7b-octahydrocyclopropa[e]azulene , (1aR,4R,4aR,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7b-octahydrocycloprop[e]azulene
Smiles: C[C@@H]1CC[C@@H]2[C@H](C3=C(CC[C@H]13)C)C2(C)C
InChi : InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-12,14H,5-8H2,1-4H3/t9-,11-,12-,14-/m1/s1
InChi Key : InChIKey=SPCXZDDGSGTVAW-XIDUGBJDSA-N
PubChem ID : 15560276
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.568419
Hydrogen bond donor count : 0 Electric dipole moment : 0.395
XLogP : 5.944 VDW volume : 228.290393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.045000
Herb list :
Refrences & Litretures:
  
791.      Journal:'African Journal of Biotechnology'      Year:'2010'      Volume:'9'      Page:'4264'      DOI:''      Title:'Chemical composition and antioxidant properties of the essential oil and methanol extracts of rhizoma Alpinia officinarum from China in vitro'
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