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dihydroedulan II
PHCD compound ID : 1049
Chemical Names :
dihydroedulan II
Molecular Formula : C13H22O1
Molecular Weight : 194.167065
More Details :
Names & Synonyms: (2R,8aR)-2,5,5,8a-tetramethyl-3,4,4a,6-tetrahydro-2H-chromene , (2R,8aR)-2,5,5,8a-tetramethyl-3,4,4a,6-tetrahydro-2H-1-benzopyran
Smiles: C[C@@H]1CC[C@@H]2[C@@](O1)(C)C=CCC2(C)C
InChi : InChI=1S/C13H22O/c1-10-6-7-11-12(2,3)8-5-9-13(11,4)14-10/h5,9-11H,6-8H2,1-4H3/t10-,11+,13-/m1/s1
InChi Key : InChIKey=IVTQSEFLDHBCDZ-NTZNESFSSA-N
PubChem ID : 6428308
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.395983
Hydrogen bond donor count : 0 Electric dipole moment : 1.643
XLogP : 3.662 VDW volume : 214.845109
Molecular weight : 194.167065 HOMO-LUMO gap : 10.536000
Herb list :
Refrences & Litretures:
  
108.      Journal:'Journal of Medicinal Plants Studies'      Year:'2015'      Volume:'3'      Page:'61'      DOI:''      Title:'Changes in content and chemical composition of Dracocephalum moldavica L. essential oil at different harvest dates'
678.      Journal:'Molecules'      Year:'2013'      Volume:'18'      Page:'14948'      DOI:'10.3390/molecules181214948'      Title:'Chemical Composition and Biological Activity of Essential Oils of Origanum vulgare L. subsp. vulgare L. under Different Growth Conditions'
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