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Cabreuva oxide D
PHCD compound ID : 1440
Chemical Names :
Cabreuva oxide D
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: 1,1,3,6-tetramethyl-3-vinyl-4a,7,8,8a-tetrahydro-4H-isochromene , 3-ethenyl-1,1,3,6-tetramethyl-4a,7,8,8a-tetrahydro-4H-2-benzopyran , 3-ethenyl-1,1,3,6-tetramethyl-4a,7,8,8a-tetrahydro-4H-isochromene
Smiles: C=C[C@]1(C)C[C@H]2C=C(C)CC[C@@H]2C(O1)(C)C
InChi : InChI=1S/C15H24O/c1-6-15(5)10-12-9-11(2)7-8-13(12)14(3,4)16-15/h6,9,12-13H,1,7-8,10H2,2-5H3/t12-,13+,15-/m1/s1
InChi Key : InChIKey=NIGRJVWIKNICMW-VNHYZAJKSA-N
PubChem ID : 73798807
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.192668
Hydrogen bond donor count : 0 Electric dipole moment : 1.442
XLogP : 3.734 VDW volume : 246.80062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.275000
Herb list :
Refrences & Litretures:
  
154.      Journal:'Flavour Fragr. J'      Year:'1997'      Volume:'12'      Page:'71'      DOI:''      Title:'Constituents of the Essential Oil of Achillea eriophora DC'
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