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ScientificNameLabel
Delta-Muurolene
PHCD compound ID : 979
Chemical Names :
Delta-Muurolene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1R)-1-isopropyl-7-methyl-4-methylene-2,3,4a,5,6,8a-hexahydro-1H-naphthalene , (1R)-7-methyl-4-methylene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene , (1R)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene
Smiles: CC1=C[C@H]2[C@@H](CC1)C(=C)CC[C@@H]2C(C)C
InChi : InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14+,15-/m1/s1
InChi Key : InChIKey=WRHGORWNJGOVQY-QLFBSQMISA-N
PubChem ID : 6431207
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.177689
Hydrogen bond donor count : 0 Electric dipole moment : 1.100
XLogP : 5.942 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.452000
Herb list :
Refrences & Litretures:
  
95.      Journal:'Flavour Fragr. J'      Year:'2006'      Volume:'21'      Page:'274'      DOI:'10.1002/ffj.1582'      Title:'Essential oil composition of Matricaria recutita L. from the lower region of the Himalayas'
815.      Journal:'International Journal of Food Science and Technology'      Year:'2008'      Volume:'43'      Page:'346'      DOI:'10.1111/j.1365-2621.2006.01458.x'      Title:'Essential oil composition of commercial black tea (Camellia sinensis)'
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