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ScientificNameLabel
Theaspirone
PHCD compound ID : 1578
Chemical Names :
Theaspirone
Molecular Formula : C13H20O2
Molecular Weight : 208.14633
More Details :
Names & Synonyms: 2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-one
Smiles: C[C@@H]1CC[C@]2(O1)C(=CC(=O)CC2(C)C)C
InChi : InChI=1S/C13H20O2/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13/h7,10H,5-6,8H2,1-4H3/t10-,13+/m1/s1
InChi Key : InChIKey=AXQMCYYCOKLZPP-MFKMUULPSA-N
PubChem ID : 5321925
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.707376
Hydrogen bond donor count : 0 Electric dipole moment : 5.191
XLogP : 1.546 VDW volume : 220.998877
Molecular weight : 208.14633 HOMO-LUMO gap : 9.704000
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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