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7-Acetyl-2-hydroxy-2-methyl-5-isopropylbicyclo[4.3.O]nonane
PHCD compound ID : 919
Chemical Names :
7-Acetyl-2-hydroxy-2-methyl-5-isopropylbicyclo[4.3.O]nonane
Molecular Formula : C15H26O2
Molecular Weight : 238.19328
More Details :
Names & Synonyms: 1-(4-hydroxy-7-isopropyl-4-methyl-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl)ethanone , 1-(4-hydroxy-4-methyl-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl)ethanone , 1-(4-methyl-4-oxidanyl-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl)ethanone
Smiles: CC([C@H]1CC[C@@]([C@H]2[C@@H]1[C@@H](CC2)C(=O)C)(C)O)C
InChi : InChI=1S/C15H26O2/c1-9(2)11-7-8-15(4,17)13-6-5-12(10(3)16)14(11)13/h9,11-14,17H,5-8H2,1-4H3/t11-,12+,13-,14+,15-/m1/s1
InChi Key : InChIKey=WLXJHVQYKOJBBN-QKGCVVFFSA-N
PubChem ID : 539857
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.857366
Hydrogen bond donor count : 1 Electric dipole moment : 4.002
XLogP : 3.26 VDW volume : 258.227305
Molecular weight : 238.19328 HOMO-LUMO gap : 10.920000
Herb list :
Refrences & Litretures:
  
74.      Journal:'Food Chemistry'      Year:'1998'      Volume:'63'      Page:'373'      DOI:''      Title:'Study of the composition of the different parts of a Spanish Thymes vulgaris L. plant'
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