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ScientificNameLabel
16-Kauren-18-yl-acetate
PHCD compound ID : 4675
Chemical Names :
16-Kauren-18-yl-acetate
Molecular Formula : C22H34O2
Molecular Weight : 330.25588
More Details :
Names & Synonyms:
Smiles: CC(=O)OC[C@@]1(C)CCC[C@@]2([C@@H]1CC[C@@]13[C@H]2CC[C@H](C3)C(=C)C1)C
InChi : InChI=1S/C22H34O2/c1-15-12-22-11-8-18-20(3,14-24-16(2)23)9-5-10-21(18,4)19(22)7-6-17(15)13-22/h17-19H,1,5-14H2,2-4H3/t17-,18-,19+,20-,21-,22-/m1/s1
InChi Key : InChIKey=FNLMCLYZRZJKQZ-VMQUQCCTSA-N
PubChem ID : 537596
Rotatable bond count : 3 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 9.628258
Hydrogen bond donor count : 0 Electric dipole moment : 2.347
XLogP : 7.676 VDW volume : 351.949822
Molecular weight : 330.25588 HOMO-LUMO gap : 10.800000
Herb list :
Refrences & Litretures:
  
742.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2014'      Volume:'17'      Page:'1287'      DOI:'10.1080/0972060X.2014.977572'      Title:'Comparing Stem and Seed Essential Oil in Dorema ammoniacum D. Don. From Iran'
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