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ScientificNameLabel
Carane,4,5-epoxy-,trans
PHCD compound ID : 1254
Chemical Names :
Carane,4,5-epoxy-,trans
Molecular Formula : C10H16O1
Molecular Weight : 152.120115
More Details :
Names & Synonyms:
Smiles: C[C@@H]1C[C@H]2[C@@H]([C@@H]3[C@H]1O3)C2(C)C
InChi : InChI=1S/C10H16O/c1-5-4-6-7(10(6,2)3)9-8(5)11-9/h5-9H,4H2,1-3H3/t5-,6+,7+,8+,9-/m1/s1
InChi Key : InChIKey=KNHFDBGGSOSGEO-ZTKNNBQKSA-N
PubChem ID : 119627
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.127360
Hydrogen bond donor count : 0 Electric dipole moment : 2.531
XLogP : 2.413 VDW volume : 153.237156
Molecular weight : 152.120115 HOMO-LUMO gap : 12.409000
Herb list :
Refrences & Litretures:
  
130.      Journal:'J. Sci. Res'      Year:'2009'      Volume:'1'      Page:'387'      DOI:'10.3329/jsr.v1i2.1760'      Title:'Constituents of Peel and Leaf Essential Oils of Citrus Medica L'
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