Skip Navigation Links
ScientificNameLabel
copaen-4-alpha-ol
PHCD compound ID : 3540
Chemical Names :
Beta-copaen-4alpha-ol , copaen-4-alpha-ol
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: (6R)-6-isopropyl-1a-methyl-4-methylene-1b,2,3,5,5a,6a-hexahydro-1H-cyclopropa[a]inden-6-ol , (6R)-1a-methyl-4-methylene-6-propan-2-yl-1b,2,3,5,5a,6a-hexahydro-1H-cyclopropa[a]inden-6-ol , (6R)-1a-methyl-4-methylidene-6-propan-2-yl-1b,2,3,5,5a,6a-hexahydro-1H-cyclopropa[a]inden-6-ol , (6R)-6-isopropyl-1a-methyl-4-methylene-1b,2,3,5,5a,6a-hexahydro-1H-cycloprop[a]inden-6-ol
Smiles: C=C1CC[C@@H]2[C@H](C1)[C@](O)(C(C)C)[C@H]1[C@]2(C)C1
InChi : InChI=1S/C15H24O/c1-9(2)15(16)12-7-10(3)5-6-11(12)14(4)8-13(14)15/h9,11-13,16H,3,5-8H2,1-2,4H3/t11-,12+,13-,14-,15-/m1/s1
InChi Key : InChIKey=CHFHDTRINHGRJJ-XLWJZTARSA-N
PubChem ID : 6431225
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.686984
Hydrogen bond donor count : 1 Electric dipole moment : 2.018
XLogP : 3.528 VDW volume : 237.08062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.919000
Herb list :
Refrences & Litretures:
  
495.      Journal:'Journal of Essential Oil Research'      Year:'2002'      Volume:'14'      Page:'1'      DOI:'10.1080/10412905.2002.9699741'      Title:'Composition of the Essential Oil of Tanacetum balsamita L. ssp. balsamitoides (Schultz Bip.) Grierson from Iran'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us