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ScientificNameLabel
Luteoxanthin
PHCD compound ID : 1529
Chemical Names :
Luteoxanthin
Molecular Formula : C40H56O4
Molecular Weight : 600.41786
More Details :
Names & Synonyms: (6S,7aR)-2-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-[(1R,3S,6S)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-1,5,10,14-tetramethyl-hexadeca-1,3,5,7,9,11,13,15-octaenyl]-4,4,7a-trimethyl-2,5,6,7-tetrahydrobenzofuran-6-ol , (6S,7aR)-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(1R,3S,6S)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydrobenzofuran-6-ol , (6S,7aR)-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(1R,3S,6S)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol , (6S,7aR)-4,4,7a-trimethyl-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-6,11,15-trimethyl-17-[(1R,3S,6S)-1,5,5-trimethyl-3-oxidanyl-7-oxabicyclo[4.1.0]heptan-6-yl]heptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-2,5,6,7-tetrahydro-1-benzofuran-6-ol
Smiles: C/C(=C\C=C\C=C(\C=C\C=C(\[C@H]1C=C2[C@@](O1)(C)C[C@H](CC2(C)C)O)/C)/C)/C=C/C=C(/C=C/[C@]12O[C@]2(C)C[C@H](CC1(C)C)O)\C
InChi : InChI=1S/C40H56O4/c1-28(17-13-18-30(3)21-22-40-37(7,8)25-33(42)27-39(40,10)44-40)15-11-12-16-29(2)19-14-20-31(4)34-23-35-36(5,6)24-32(41)26-38(35,9)43-34/h11-23,32-34,41-42H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t32-,33-,34+,38+,39+,40-/m0/s1
InChi Key : InChIKey=YNNRPBRNWWIQPQ-JUINZOCDSA-N
PubChem ID : 12112747
Rotatable bond count : 9 Rule of five : 1
Hydrogen bond acceptor count : 4 Ionization potential : 7.981708
Hydrogen bond donor count : 2 Electric dipole moment : 3.073
XLogP : 7.71 VDW volume : 662.402787
Molecular weight : 600.41786 HOMO-LUMO gap : 7.361000
Herb list :
Refrences & Litretures:
  
165.      Journal:'Journal of Chemistry'      Year:'2013'      Volume:''      Page:'126106'      DOI:'10.1155/2013/126106'      Title:'Chemical Composition of Iran’s Pistacia atlantica Cold-Pressed Oil'
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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