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ScientificNameLabel
muurola-3,5-diene
PHCD compound ID : 3060
Chemical Names :
cis-Muurola-3,5-diene , muurola-3,5-diene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1R,4R,4aS)-1-isopropyl-4,7-dimethyl-1,2,3,4,4a,5-hexahydronaphthalene , (1R,4R,4aS)-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-MCIONIFRSA-N
PubChem ID : 51351708
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.381921
Hydrogen bond donor count : 0 Electric dipole moment : 0.821
XLogP : 6.194 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 9.009000
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'
457.      Journal:'Food Chemistry'      Year:'2011'      Volume:'129'      Page:'1469'      DOI:'10.1016/j.foodchem.2011.05.117'      Title:'Chemical composition, antimicrobial potential against cariogenic bacteria and cytotoxic activity of Tunisian Nigella sativa essential oil and thymoquinone'
563.      Journal:'??????'      Year:'2009'      Volume:'31'      Page:'77'      DOI:''      Title:'Essential Oil Compositions and Bioactivities of the Various Pa r t s of Cinnamomum camphora Sieb. var. linaloolifera Fujuta'
577.      Journal:'J. Essent. Oil Res'      Year:'2007'      Volume:'19'      Page:'14'      DOI:'10.1080/10412905.2007.9699217'      Title:'Essential Oil Constituents of Piper cubeba L. fils. from Indonesia'
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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