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ScientificNameLabel
Torilenol
PHCD compound ID : 498
Chemical Names :
Torilenol
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: (1R,1bS,5R,5aS)-1-isopropyl-5a-methyl-2-methylene-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]inden-5-ol , (1R,1bS,5R,5aS)-5a-methyl-2-methylene-1-propan-2-yl-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]inden-5-ol , (1R,1bS,5R,5aS)-5a-methyl-2-methylidene-1-propan-2-yl-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]inden-5-ol , (1R,1bS,5R,5aS)-1-isopropyl-5a-methyl-2-methylene-1,1a,1b,3,4,5,6,6a-octahydrocycloprop[a]inden-5-ol
Smiles: C=C1CC[C@H]([C@@]2([C@H]1[C@@H]1[C@@H]([C@H]1C(C)C)C2)C)O
InChi : InChI=1S/C15H24O/c1-8(2)12-10-7-15(4)11(16)6-5-9(3)14(15)13(10)12/h8,10-14,16H,3,5-7H2,1-2,4H3/t10-,11-,12-,13-,14-,15-/m1/s1
InChi Key : InChIKey=WVVFQZGQVPKOMT-BXLXJSPXSA-N
PubChem ID : 91747180
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.770516
Hydrogen bond donor count : 1 Electric dipole moment : 1.493
XLogP : 4.037 VDW volume : 237.08062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.862000
Herb list :
Refrences & Litretures:
  
30.      Journal:'Phytochemistry'      Year:'2005'      Volume:'66'      Page:'507'      DOI:'10.1016/j.phytochem.2005.01.007'      Title:'Identi?cation of an EcoRI restriction site for a rapid and precise determination of ?-asarone-free Acorus calamus cytotypes'
777.      Journal:'Molecules'      Year:'2009'      Volume:'14'      Page:'1438'      DOI:'10.3390/molecules14041438'      Title:'Chemical Composition and Biological Activities of Essential Oil from Salvia sclarea Plants Regenerated in vitro'
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