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ScientificNameLabel
isocaryophyllene oxide
PHCD compound ID : 5268
Chemical Names :
isocaryophyllene oxide
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: (1R,4R,6S,10S)-4,12,12-trimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane , (1R,4R,6S,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane , (1R,4R,6S,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane
Smiles: C=C1CC[C@@H]2O[C@@]2(CC[C@@H]2[C@@H]1CC2(C)C)C
InChi : InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+,15-/m1/s1
InChi Key : InChIKey=NVEQFIOZRFFVFW-GUIRCDHDSA-N
PubChem ID : 1742211
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.651423
Hydrogen bond donor count : 0 Electric dipole moment : 2.389
XLogP : 4.607 VDW volume : 237.08062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.767000
Herb list :
Refrences & Litretures:
  
842.      Journal:'Journal of Essential Oil Research'      Year:'1996'      Volume:'8'      Page:'419'      DOI:'10.1080/10412905.1996.9700653'      Title:'Chemical Composition of the Leaf Oil of Verbena officinalis L'
883.      Journal:'Pharmaceutical Biology'      Year:'2004'      Volume:'42'      Page:'360'      DOI:'10.1080/13880200490519677'      Title:'Chemical Composition of Essential Oils from Leaves and Twigs of Pistacia lentiscus, Pistacia lentiscus var. chia, and Pistacia terebinthus from Turkey'
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