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Ascorbyl monomyristate
PHCD compound ID : 3254
Chemical Names :
Ascorbyl monomyristate
Molecular Formula : C20H34O7
Molecular Weight : 386.230453
More Details :
Names & Synonyms: [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxy-ethyl] tetradecanoate , tetradecanoic acid [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] ester , [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] tetradecanoate , [(2S)-2-[(2R)-3,4-bis(oxidanyl)-5-oxidanylidene-2H-furan-2-yl]-2-oxidanyl-ethyl] tetradecanoate , myristic acid [(2S)-2-[(2R)-3,4-dihydroxy-5-keto-2H-furan-2-yl]-2-hydroxy-ethyl] ester
Smiles: CCCCCCCCCCCCCC(=O)OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O
InChi : InChI=1S/C20H34O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(22)26-14-15(21)19-17(23)18(24)20(25)27-19/h15,19,21,23-24H,2-14H2,1H3/t15-,19+/m0/s1
InChi Key : InChIKey=MSKSZMDNKAEBSG-HNAYVOBHSA-N
PubChem ID : 54704296
Rotatable bond count : 16 Rule of five : 2
Hydrogen bond acceptor count : 7 Ionization potential : 9.583059
Hydrogen bond donor count : 3 Electric dipole moment : 5.172
XLogP : 7.074 VDW volume : 395.741903
Molecular weight : 386.230453 HOMO-LUMO gap : 9.020000
Herb list :
Refrences & Litretures:
  
443.      Journal:'Food Chemistry'      Year:'2015'      Volume:'166'      Page:'179'      DOI:'10.1016/j.foodchem.2014.06.011'      Title:'HPLC–DAD–ESI-MS/MS screening of bioactive components from Rhus coriaria L. (Sumac) fruits'
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