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ScientificNameLabel
(-)-Alloaromadendrene
PHCD compound ID : 2689
Chemical Names :
(-)-Alloaromadendrene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1aR,4aR,7S,7aS,7bS)-1,1,7-trimethyl-4-methylene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene , (1aR,4aR,7S,7aS,7bS)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene , (1aR,4aR,7S,7aS,7bS)-1,1,7-trimethyl-4-methylene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cycloprop[e]azulene
Smiles: C[C@H]1CC[C@@H]2[C@H]1[C@H]1[C@H](C1(C)C)CCC2=C
InChi : InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3/t10-,11-,12+,13-,14+/m0/s1
InChi Key : InChIKey=ITYNGVSTWVVPIC-PDWCTOEPSA-N
PubChem ID : 44584667
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.481677
Hydrogen bond donor count : 0 Electric dipole moment : 0.825
XLogP : 6.544 VDW volume : 228.290393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.800000
Herb list :
Refrences & Litretures:
  
312.      Journal:'Talanta'      Year:'2010'      Volume:'81'      Page:'129'      DOI:'10.1016/j.talanta.2009.11.047'      Title:'Identi?cation of Portulaca oleracea L. from different sources using GC–MS and FT-IR spectroscopy'
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