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Dihydroedulan I
PHCD compound ID : 1789
Chemical Names :
Dihydroedulan I
Molecular Formula : C13H22O1
Molecular Weight : 194.167065
More Details :
Names & Synonyms: (2S,4aR,8aR)-2,5,5,8a-tetramethyl-3,4,4a,6-tetrahydro-2H-chromene , (2S,4aR,8aR)-2,5,5,8a-tetramethyl-3,4,4a,6-tetrahydro-2H-1-benzopyran
Smiles: C[C@H]1CC[C@H]2[C@@](O1)(C)C=CCC2(C)C
InChi : InChI=1S/C13H22O/c1-10-6-7-11-12(2,3)8-5-9-13(11,4)14-10/h5,9-11H,6-8H2,1-4H3/t10-,11+,13+/m0/s1
InChi Key : InChIKey=IVTQSEFLDHBCDZ-DMDPSCGWSA-N
PubChem ID : 91746670
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.372889
Hydrogen bond donor count : 0 Electric dipole moment : 1.763
XLogP : 3.662 VDW volume : 214.845109
Molecular weight : 194.167065 HOMO-LUMO gap : 10.576000
Herb list :
Refrences & Litretures:
  
203.      Journal:'Food Chemistry'      Year:'2011'      Volume:'128'      Page:'1017'      DOI:'10.1016/j.foodchem.2011.04.007'      Title:'Chemical composition and antimicrobial activity of Vitex agnus-castus L. fruits and leaves essential oils'
861.      Journal:'Arabian Journal of Chemistry'      Year:'2016'      Volume:'9'      Page:'S1190'      DOI:'10.1016/j.arabjc.2012.01.003'      Title:'Variation in essential oil composition of Iris nigricans Dinsm. (Iridaceae) endemic to Jordan at di?erent ?owering stages'
875.      Journal:'J. Essent. Oil Res'      Year:'2007'      Volume:'19'      Page:'183'      DOI:'10.1080/10412905.2007.9699255'      Title:'olatile Constituents and Antimicrobial Activity of Tilia tomentosa Moench and Tilia cordata Miller Oils'
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