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ScientificNameLabel
Trans-limonene oxyde
PHCD compound ID : 3122
Chemical Names :
Trans-limonene oxyde
Molecular Formula : C10H16O1
Molecular Weight : 152.120115
More Details :
Names & Synonyms: (1R,3R,6S)-3-isopropenyl-6-methyl-7-oxabicyclo[4.1.0]heptane , (1R,3R,6S)-6-methyl-3-(1-methylethenyl)-7-oxabicyclo[4.1.0]heptane , (1R,3R,6S)-6-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane
Smiles: CC(=C)[C@@H]1CC[C@]2([C@@H](C1)O2)C
InChi : InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9-,10+/m1/s1
InChi Key : InChIKey=CCEFMUBVSUDRLG-BBBLOLIVSA-N
PubChem ID : 449290
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.757309
Hydrogen bond donor count : 0 Electric dipole moment : 2.559
XLogP : 2.292 VDW volume : 162.957156
Molecular weight : 152.120115 HOMO-LUMO gap : 10.908000
Herb list :
Refrences & Litretures:
  
425.      Journal:'Industrial Crops and Produ'      Year:'2009'      Volume:'30'      Page:'372'      DOI:'10.1016/j.indcrop.2009.07.005'      Title:'Water deficit effects on caraway (Carum carvi L.) growth, essential oil and fatty acid composition'
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