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ScientificNameLabel
Thunbergene
PHCD compound ID : 5516
Chemical Names :
Thunbergene
Molecular Formula : C20H32
Molecular Weight : 272.250401
More Details :
Names & Synonyms: (1Z,3E,6Z,10Z)-14-isopropyl-3,7,11-trimethyl-cyclotetradeca-1,3,6,10-tetraene , (1Z,3E,6Z,10Z)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-1,3,6,10-tetraene , (1Z,3E,6Z,10Z)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-1,3,6,10-tetraene , (1Z,3E,6Z,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-/m0/s1
InChi Key : InChIKey=DMHADBQKVWXPPM-ISWHGWCOSA-N
PubChem ID : 131752064
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.888670
Hydrogen bond donor count : 0 Electric dipole moment : 1.150
XLogP : 8.26 VDW volume : 331.573858
Molecular weight : 272.250401 HOMO-LUMO gap : 9.732000
Herb list :
Refrences & Litretures:
  
925.      Journal:'Annali di Chimica'      Year:'2007'      Volume:'97'      Page:'837'      DOI:''      Title:'CHEMICAL COMPOSITION AND ANTIMICROBIAL ACTIVITY OF SOME OLEOGUM RESIN ESSENTIAL OILS FROM BOSWELLIA SPP. (BURSERACEAE)'
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