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ScientificNameLabel
neo-Intermedeol
PHCD compound ID : 3877
Chemical Names :
neo-Intermedeol
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: (1S,4aR,7R,8aR)-7-isopropenyl-1,4a-dimethyl-decalin-1-ol , (1S,4aR,7R,8aR)-1,4a-dimethyl-7-(1-methylethenyl)-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol , (1S,4aR,7R,8aR)-1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol
Smiles: CC(=C)[C@@H]1CC[C@@]2([C@@H](C1)[C@@](C)(O)CCC2)C
InChi : InChI=1S/C15H26O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h12-13,16H,1,5-10H2,2-4H3/t12-,13-,14-,15+/m1/s1
InChi Key : InChIKey=DPQYOKVMVCQHMY-TUVASFSCSA-N
PubChem ID : 11877394
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.535042
Hydrogen bond donor count : 1 Electric dipole moment : 2.245
XLogP : 4.724 VDW volume : 249.437079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.904000
Herb list :
Refrences & Litretures:
  
522.      Journal:'Maced. J. Chem. Chem. Eng'      Year:'2015'      Volume:'34'      Page:'333'      DOI:''      Title:'Essential oil composition of indigenous populations of Hypericum perforatum L. from southern Albania'
563.      Journal:'??????'      Year:'2009'      Volume:'31'      Page:'77'      DOI:''      Title:'Essential Oil Compositions and Bioactivities of the Various Pa r t s of Cinnamomum camphora Sieb. var. linaloolifera Fujuta'
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