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ScientificNameLabel
duvatriendiol
PHCD compound ID : 1544
Chemical Names :
duvatriendiol
Molecular Formula : C20H34O2
Molecular Weight : 306.25588
More Details :
Names & Synonyms: (4E,8E,13Z)-12-isopropyl-1,5,9-trimethyl-cyclotetradeca-4,8,13-triene-1,3-diol , (4E,8E,13Z)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol , (4E,8E,13Z)-1,5,9-trimethyl-12-propan-2-yl-cyclotetradeca-4,8,13-triene-1,3-diol
Smiles: C/C/1=C\CC/C(=C/[C@H](O)C[C@@](/C=C\[C@@H](CC1)C(C)C)(C)O)/C
InChi : InChI=1S/C20H34O2/c1-15(2)18-10-9-16(3)7-6-8-17(4)13-19(21)14-20(5,22)12-11-18/h7,11-13,15,18-19,21-22H,6,8-10,14H2,1-5H3/b12-11-,16-7+,17-13+/t18-,19+,20+/m1/s1
InChi Key : InChIKey=RIVKDDXPCFBMOV-WSMBRCSESA-N
PubChem ID : 6436665
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 9.138818
Hydrogen bond donor count : 2 Electric dipole moment : 2.819
XLogP : 5.228 VDW volume : 351.79077
Molecular weight : 306.25588 HOMO-LUMO gap : 10.109000
Herb list :
Refrences & Litretures:
  
170.      Journal:'J. Crop Prot'      Year:'2012'      Volume:'1'      Page:'313'      DOI:''      Title:'Chemical composition and insecticide activity of lemon verbena essential oil'
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