Skip Navigation Links
ScientificNameLabel
Isobornyl isobutyrate(8-isobotyryloxy-)
PHCD compound ID : 1060
Chemical Names :
Isobornyl isobutyrate(8-isobotyryloxy-)
Molecular Formula : C18H30O4
Molecular Weight : 310.214409
More Details :
Names & Synonyms: [(1S,2R,4S)-1,7-dimethyl-2-(2-methylpropanoyloxy)norbornan-7-yl]methyl 2-methylpropanoate , 2-methylpropanoic acid [(1S,3R,4S)-4,7-dimethyl-3-(2-methyl-1-oxopropoxy)-7-bicyclo[2.2.1]heptanyl]methyl ester , [(1S,3R,4S)-4,7-dimethyl-3-(2-methylpropanoyloxy)-7-bicyclo[2.2.1]heptanyl]methyl 2-methylpropanoate , 2-methylpropionic acid [(1S,2R,4S)-2-isobutyryloxy-1,7-dimethyl-norbornan-7-yl]methyl ester
Smiles: CC(C(=O)OC[C@]1(C)[C@H]2CC[C@]1(C)[C@@H](C2)OC(=O)C(C)C)C
InChi : InChI=1S/C18H30O4/c1-11(2)15(19)21-10-18(6)13-7-8-17(18,5)14(9-13)22-16(20)12(3)4/h11-14H,7-10H2,1-6H3/t13-,14+,17+,18+/m0/s1
InChi Key : InChIKey=TYRVJKXVESQUNB-MJSCVDMRSA-N
PubChem ID : 6430792
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 10.332350
Hydrogen bond donor count : 0 Electric dipole moment : 3.583
XLogP : 3.752 VDW volume : 325.059254
Molecular weight : 310.214409 HOMO-LUMO gap : 11.581000
Herb list :
Refrences & Litretures:
  
109.      Journal:'AGRICULTURAL COMMUNICATIONS'      Year:'2014'      Volume:'2'      Page:'42'      DOI:''      Title:'Effect of Different Salinity Levels on Essential Oil Content and Composition of Dracocephalum moldavica'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us