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trans-Muurola-3,5-diene
PHCD compound ID : 3061
Chemical Names :
trans-Muurola-3,5-diene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1S,4R)-1-isopropyl-4,7-dimethyl-1,2,3,4,4a,5-hexahydronaphthalene , (1S,4R)-4,7-dimethyl-1-propan-2-yl-1,2,3,4,4a,5-hexahydronaphthalene
Smiles: CC1=CC[C@H]2C(=C1)[C@@H](CC[C@H]2C)C(C)C
InChi : InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,9-10,12-14H,6-8H2,1-4H3/t12-,13+,14-/m1/s1
InChi Key : InChIKey=JOCWPECWTZZSSX-HZSPNIEDSA-N
PubChem ID : 6431130
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.348393
Hydrogen bond donor count : 0 Electric dipole moment : 0.766
XLogP : 6.194 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 9.018000
Herb list :
Refrences & Litretures:
  
395.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2009'      Volume:'12'      Page:'111'      DOI:'10.1080/0972060X.2009.10643700'      Title:'Chemical Composition and Antimicrobial Activity of Essential Oil of Hyssopus angustifolius M.B'
732.      Journal:'Chromatographia'      Year:'2011'      Volume:'73'      Page:'s163'      DOI:'10.1007/s10337-011-1910-0'      Title:'Chemical Composition and Chemometric Analysis of Variation in Essential Oils of Calendula officinalis L. during Vegetation Stages'
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