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ScientificNameLabel
Gamma-carotene
PHCD compound ID : 4648
Chemical Names :
Gamma-carotene
Molecular Formula : C40H56
Molecular Weight : 536.438202
More Details :
Names & Synonyms: 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,3-trimethyl-cyclohexene , 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,3-trimethylcyclohexene
Smiles: C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C)/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C
InChi : InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-27,29-30H,13,17,21,28,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+
InChi Key : InChIKey=HRQKOYFGHJYEFS-BXOLYSJBSA-N
PubChem ID : 5280791
Rotatable bond count : 13 Rule of five : 2
Hydrogen bond acceptor count : 0 Ionization potential : 7.808888
Hydrogen bond donor count : 0 Electric dipole moment : 1.208
XLogP : 14.66 VDW volume : 656.401881
Molecular weight : 536.438202 HOMO-LUMO gap : 7.254000
Herb list :
Refrences & Litretures:
  
733.      Journal:'Acta Biologica Szegediensis'      Year:'2003'      Volume:'47'      Page:'37'      DOI:''      Title:'HPLC analysis of carotenoids in four varieties of Calendula officinalis L. flowers'
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