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ScientificNameLabel
trans-Marmelo lactoneb
PHCD compound ID : 1581
Chemical Names :
trans-Marmelo lactoneb
Molecular Formula : C10H14O2
Molecular Weight : 166.09938
More Details :
Names & Synonyms: (3R,5R)-3-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]tetrahydrofuran-2-one , (3R,5R)-3-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]-2-oxolanone , (3R,5R)-3-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]oxolan-2-one
Smiles: CC(=C)/C=C/[C@@H]1OC(=O)[C@@H](C1)C
InChi : InChI=1S/C10H14O2/c1-7(2)4-5-9-6-8(3)10(11)12-9/h4-5,8-9H,1,6H2,2-3H3/b5-4+/t8-,9+/m1/s1
InChi Key : InChIKey=VOJBXZDIFIJUKD-VJIGKBMESA-N
PubChem ID : 101282733
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.707927
Hydrogen bond donor count : 0 Electric dipole moment : 4.468
XLogP : 2.316 VDW volume : 178.830924
Molecular weight : 166.09938 HOMO-LUMO gap : 9.809000
Herb list :
Refrences & Litretures:
  
174.      Journal:'Agric. Bioi. Chern'      Year:'1983'      Volume:'47'      Page:'2495'      DOI:'10.1080/00021369.1983.10865983'      Title:'Volatile Components of Quince Fruit (Cydonia oblonga Mill.)'
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