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Retinol Acetate
PHCD compound ID : 1806
Chemical Names :
Retinol Acetate
Molecular Formula : C22H32O2
Molecular Weight : 328.24023
More Details :
Names & Synonyms: [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] acetate , acetic acid [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] ester , [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] ethanoate , acetic acid [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] ester
Smiles: CC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C
InChi : InChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9+,18-14+
InChi Key : InChIKey=QGNJRVVDBSJHIZ-QHLGVNSISA-N
PubChem ID : 638034
Rotatable bond count : 7 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 8.520484
Hydrogen bond donor count : 0 Electric dipole moment : 2.590
XLogP : 6.898 VDW volume : 378.473363
Molecular weight : 328.24023 HOMO-LUMO gap : 8.311000
Herb list :
Refrences & Litretures:
  
204.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2015'      Volume:'18'      Page:'208'      DOI:'10.1080/0972060X.2014.976665'      Title:'Evaluation of Chemical Composition and Antimicrobial Activity of Vitex agnus castus L. Fruits’ Essential Oils from West Anatolia, Turkey'
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