Skip Navigation Links
ScientificNameLabel
trans-Sabinene-hydrate acetate
PHCD compound ID : 1287
Chemical Names :
trans-Sabinene-hydrate acetate , trans-sabinene hydrate acetate
Molecular Formula : C12H20O2
Molecular Weight : 196.14633
More Details :
Names & Synonyms: [(1S,4S)-1-isopropyl-4-methyl-4-bicyclo[3.1.0]hexanyl] acetate , acetic acid [(1S,4S)-4-methyl-1-propan-2-yl-4-bicyclo[3.1.0]hexanyl] ester , [(1S,4S)-4-methyl-1-propan-2-yl-4-bicyclo[3.1.0]hexanyl] acetate , [(1S,4S)-4-methyl-1-propan-2-yl-4-bicyclo[3.1.0]hexanyl] ethanoate , acetic acid [(1S,4S)-1-isopropyl-4-methyl-4-bicyclo[3.1.0]hexanyl] ester
Smiles: CC(=O)O[C@@]1(C)CC[C@@]2([C@H]1C2)C(C)C
InChi : InChI=1S/C12H20O2/c1-8(2)12-6-5-11(4,10(12)7-12)14-9(3)13/h8,10H,5-7H2,1-4H3/t10-,11-,12-/m0/s1
InChi Key : InChIKey=MYCFGFMJUUNKBN-SRVKXCTJSA-N
PubChem ID : 6427504
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.289466
Hydrogen bond donor count : 0 Electric dipole moment : 1.847
XLogP : 3.496 VDW volume : 206.339352
Molecular weight : 196.14633 HOMO-LUMO gap : 11.596000
Herb list :
Refrences & Litretures:
  
137.      Journal:'Flavour Fragr. J'      Year:'2003'      Volume:'18'      Page:'237'      DOI:'10.1002/ffj.1215'      Title:'Compositional analysis of the essential oil of Lallemantia royleana (Benth. in Wall.) Benth. from Iran'
138.      Journal:'Journal of Food Safety'      Year:'2014'      Volume:''      Page:'1'      DOI:'10.1111/jfs.12139'      Title:'CHEMICAL COMPOSITION, ANTIFUNGAL AND ANTIBACTERIAL ACTIVITIES OF ESSENTIAL OIL FROM LALLEMANTIA ROYLEANA (BENTH. IN WALL.) BENTH'
274.      Journal:'Journal of Food Science'      Year:'2012'      Volume:'77'      Page:'C448'      DOI:'10.1111/j.1750-3841.2012.02618.x'      Title:'Extraction and Separation of Volatile and Fixed Oils from Seeds of Myristica fragrans by Supercritical CO2: Chemical Composition and Cytotoxic Activity on Caco-2 Cancer Cells'
456.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2013'      Volume:'16'      Page:'781'      DOI:'10.1080/0972060X.2013.813275'      Title:'Chemical Composition of the Essential Oil of Nigella sativa Seeds Extracted by Microwave Steam Distillation'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us