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ScientificNameLabel
Vulgarone B
PHCD compound ID : 3876
Chemical Names :
Vulgarone B
Molecular Formula : C15H22O1
Molecular Weight : 218.167065
More Details :
Names & Synonyms:
Smiles: CC1=CC(=O)[C@H]2[C@H]3[C@@H]1[C@]2(C)CCCC3(C)C
InChi : InChI=1S/C15H22O/c1-9-8-10(16)12-13-11(9)15(12,4)7-5-6-14(13,2)3/h8,11-13H,5-7H2,1-4H3/t11-,12+,13-,15+/m1/s1
InChi Key : InChIKey=KTPOZFYJWLGJGH-COMQUAJESA-N
PubChem ID : 530428
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.661279
Hydrogen bond donor count : 0 Electric dipole moment : 4.690
XLogP : 4.29 VDW volume : 234.444161
Molecular weight : 218.167065 HOMO-LUMO gap : 9.686000
Herb list :
Refrences & Litretures:
  
522.      Journal:'Maced. J. Chem. Chem. Eng'      Year:'2015'      Volume:'34'      Page:'333'      DOI:''      Title:'Essential oil composition of indigenous populations of Hypericum perforatum L. from southern Albania'
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