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Aristolene epoxide
PHCD compound ID : 917
Chemical Names :
Aristolene epoxide
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms:
Smiles: C[C@@H]1CCC[C@@]23[C@@]1(C)[C@H]1[C@H](C1(C)C)C[C@@H]3O2
InChi : InChI=1S/C15H24O/c1-9-6-5-7-15-11(16-15)8-10-12(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=WDIRTEJWYGLLSB-ZOMUANAPSA-N
PubChem ID : 535269
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.322783
Hydrogen bond donor count : 0 Electric dipole moment : 2.644
XLogP : 4.531 VDW volume : 227.36062
Molecular weight : 220.182715 HOMO-LUMO gap : 11.306000
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'
974.      Journal:'European Food Research and Technology'      Year:'2018'      Volume:'244'      Page:'1169'      DOI:'10.1007/s00217-018-3034-3'      Title:'Chromatographic fingerprint, antioxidant activity, and colour characteristic of polish goldenrod (Solidago virgaurea L.) honey and lower'
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