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Calarene epoxide
PHCD compound ID : 916
Chemical Names :
Calarene epoxide
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms:
Smiles: C[C@@H]1CC[C@@H]2[C@]3([C@@]1(C)[C@H]1[C@H](C1(C)C)CC3)O2
InChi : InChI=1S/C15H24O/c1-9-5-6-11-15(16-11)8-7-10-12(13(10,2)3)14(9,15)4/h9-12H,5-8H2,1-4H3/t9-,10-,11-,12+,14-,15-/m1/s1
InChi Key : InChIKey=UYPPHUAQDGUVKN-OYFKMHTJSA-N
PubChem ID : 111446
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.791999
Hydrogen bond donor count : 0 Electric dipole moment : 1.590
XLogP : 4.531 VDW volume : 227.36062
Molecular weight : 220.182715 HOMO-LUMO gap : 12.324000
Herb list :
Refrences & Litretures:
  
74.      Journal:'Food Chemistry'      Year:'1998'      Volume:'63'      Page:'373'      DOI:''      Title:'Study of the composition of the different parts of a Spanish Thymes vulgaris L. plant'
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