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2-methylene-6,8,8-trimethyl-Tricyclo[5.2.2.0(1,6)]undecan-3-ol
PHCD compound ID : 4130
Chemical Names :
2-methylene-6,8,8-trimethyl-Tricyclo[5.2.2.0(1,6)]undecan-3-ol
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms:
Smiles: O[C@@H]1CC[C@@]2([C@]3(C1=C)CC[C@H]2C(C3)(C)C)C
InChi : InChI=1S/C15H24O/c1-10-11(16)5-7-14(4)12-6-8-15(10,14)9-13(12,2)3/h11-12,16H,1,5-9H2,2-4H3/t11-,12+,14+,15-/m1/s1
InChi Key : InChIKey=WAAGDSRYOTWUKB-PAPYEOQZSA-N
PubChem ID : 535346
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.435680
Hydrogen bond donor count : 1 Electric dipole moment : 2.133
XLogP : 4.516 VDW volume : 237.08062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.744000
Herb list :
Refrences & Litretures:
  
575.      Journal:'J. Chin. Chem. Soc'      Year:'2013'      Volume:'60'      Page:'649'      DOI:'10.1002/jccs.201300133'      Title:'Improvement of GC-MS Analysis of Shahrbabak Ziziphora tenuior Essential Oil by Using Multivariate Curve Resolution Approaches'
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