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ScientificNameLabel
Cembrene A-(3Z)
PHCD compound ID : 4677
Chemical Names :
Cembrene A-(3Z)
Molecular Formula : C20H32
Molecular Weight : 272.250401
More Details :
Names & Synonyms: (1E,3Z,6E,10Z)-14-isopropyl-3,7,11-trimethyl-cyclotetradeca-1,3,6,10-tetraene , (1E,3Z,6E,10Z)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-1,3,6,10-tetraene , (1E,3Z,6E,10Z)-3,7,11-trimethyl-14-propan-2-yl-cyclotetradeca-1,3,6,10-tetraene
Smiles: C/C/1=C/CC/C(=C/C/C=C(\C=C\[C@H](CC1)C(C)C)/C)/C
InChi : InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,10-12,14,16,20H,6-7,9,13,15H2,1-5H3/b14-12+,17-8+,18-10-,19-11-/t20-/m1/s1
InChi Key : InChIKey=DMHADBQKVWXPPM-IDYDLPGUSA-N
PubChem ID : 6427092
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.674908
Hydrogen bond donor count : 0 Electric dipole moment : 1.276
XLogP : 8.26 VDW volume : 331.573858
Molecular weight : 272.250401 HOMO-LUMO gap : 9.292000
Herb list :
Refrences & Litretures:
  
742.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2014'      Volume:'17'      Page:'1287'      DOI:'10.1080/0972060X.2014.977572'      Title:'Comparing Stem and Seed Essential Oil in Dorema ammoniacum D. Don. From Iran'
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