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ScientificNameLabel
Theaspirane
PHCD compound ID : 1584
Chemical Names :
Theaspirane
Molecular Formula : C13H22O1
Molecular Weight : 194.167065
More Details :
Names & Synonyms: 2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene
Smiles: C[C@@H]1CC[C@]2(O1)C(=CCCC2(C)C)C
InChi : InChI=1S/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h6,11H,5,7-9H2,1-4H3/t11-,13+/m1/s1
InChi Key : InChIKey=GYUZHTWCNKINPY-YPMHNXCESA-N
PubChem ID : 61953
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.109477
Hydrogen bond donor count : 0 Electric dipole moment : 1.529
XLogP : 2.794 VDW volume : 214.845109
Molecular weight : 194.167065 HOMO-LUMO gap : 10.434000
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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