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Cembrene C
PHCD compound ID : 5513
Chemical Names :
Cembrene C
Molecular Formula : C20H32
Molecular Weight : 272.250401
More Details :
Names & Synonyms: (1E,5E,9E)-12-isopropylidene-1,5,9-trimethyl-cyclotetradeca-1,5,9-triene , (1E,5E,9E)-1,5,9-trimethyl-12-propan-2-ylidenecyclotetradeca-1,5,9-triene , (1E,5E,9E)-1,5,9-trimethyl-12-propan-2-ylidenecyclotetradeca-1,5,9-triene , (1E,5E,9E)-1,5,9-trimethyl-12-propan-2-ylidene-cyclotetradeca-1,5,9-triene
Smiles: C/C/1=C\CC(=C(C)C)CC/C(=C/CC/C(=C/CC1)/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/h8,11-12H,6-7,9-10,13-15H2,1-5H3/b17-8+,18-12+,19-11+
InChi Key : InChIKey=SHVZFTWRFOQOFU-GDVLXBNMSA-N
PubChem ID : 14336535
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.769259
Hydrogen bond donor count : 0 Electric dipole moment : 0.439
XLogP : 6.97 VDW volume : 331.573858
Molecular weight : 272.250401 HOMO-LUMO gap : 10.054000
Herb list :
Refrences & Litretures:
  
924.      Journal:'Phytochemistry 66 (2005) 1499'      Year:'2005'      Volume:'66'      Page:'1499'      DOI:'10.1016/j.phytochem.2005.04.025'      Title:'A chemical investigation by headspace SPME and GC–MS of volatile and semi-volatile terpenes in various olibanum samples'
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