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ScientificNameLabel
Kudtdiol
PHCD compound ID : 4306
Chemical Names :
Kudtdiol
Molecular Formula : C15H26O2
Molecular Weight : 238.19328
More Details :
Names & Synonyms: (2R)-2-[(2R,4aR,8aS)-4a-methyl-8-methylene-decalin-2-yl]propane-1,2-diol , (2R)-2-[(2R,4aR,8aS)-4a-methyl-8-methylene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propane-1,2-diol , (2R)-2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propane-1,2-diol
Smiles: OC[C@@]([C@@H]1CC[C@@]2([C@@H](C1)C(=C)CCC2)C)(O)C
InChi : InChI=1S/C15H26O2/c1-11-5-4-7-14(2)8-6-12(9-13(11)14)15(3,17)10-16/h12-13,16-17H,1,4-10H2,2-3H3/t12-,13+,14-,15+/m1/s1
InChi Key : InChIKey=FUUSVPZQXDAJBK-BARDWOONSA-N
PubChem ID : 26471785
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.537367
Hydrogen bond donor count : 2 Electric dipole moment : 2.020
XLogP : 3.698 VDW volume : 258.227305
Molecular weight : 238.19328 HOMO-LUMO gap : 10.897000
Herb list :
Refrences & Litretures:
  
627.      Journal:'Chemistry of Natural Compounds'      Year:'2015'      Volume:'51'      Page:'171'      DOI:'10.1007/s10600-015-1233-8'      Title:'CHEMICAL COMPOSITION OF THE ALIPHATIC COMPOUND-RICH ESSENTIAL OIL OF Rosa foetida FROM IRAN'
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