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ScientificNameLabel
Solanesol
PHCD compound ID : 1895
Chemical Names :
Solanesol
Molecular Formula : C45H74O1
Molecular Weight : 630.573967
More Details :
Names & Synonyms: (2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-ol , (2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethyl-1-hexatriaconta-2,6,10,14,18,22,26,30,34-nonaenol
Smiles: OC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C)\C)\C
InChi : InChI=1S/C45H74O/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)33-18-34-45(10)35-36-46/h19,21,23,25,27,29,31,33,35,46H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3/b38-21+,39-23+,40-25+,41-27+,42-29+,43-31+,44-33+,45-35+
InChi Key : InChIKey=AFPLNGZPBSKHHQ-MEGGAXOGSA-N
PubChem ID : 5477212
Rotatable bond count : 25 Rule of five : 2
Hydrogen bond acceptor count : 1 Ionization potential : 9.005944
Hydrogen bond donor count : 1 Electric dipole moment : 4.244
XLogP : 15.278 VDW volume : 771.937865
Molecular weight : 630.573967 HOMO-LUMO gap : 10.048000
Herb list :
Refrences & Litretures:
  
223.      Journal:'J. Med. Plants Res'      Year:'2013'      Volume:'7'      Page:'3003'      DOI:'10.5897/JMPR12.1270'      Title:'Chemical composition of the essential oil of Mentha pulegium L. from Taftan Area by means of gas chromatography/mass spectrometry (GC/MS)'
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