Skip Navigation Links
ScientificNameLabel
epi-beta-Cadinol
PHCD compound ID : 4541
Chemical Names :
epi-beta-Cadinol
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: (1S,4S,4aS,8aR)-4-isopropyl-1-methyl-6-methylene-decalin-1-ol , (1S,4S,4aS,8aR)-1-methyl-6-methylene-4-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydronaphthalen-1-ol , (1S,4S,4aS,8aR)-1-methyl-6-methylidene-4-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydronaphthalen-1-ol
Smiles: C=C1CC[C@@H]2[C@@H](C1)[C@@H](CC[C@]2(C)O)C(C)C
InChi : InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h10,12-14,16H,3,5-9H2,1-2,4H3/t12-,13-,14+,15-/m0/s1
InChi Key : InChIKey=DCGIIRVFKWJQME-XQLPTFJDSA-N
PubChem ID : 10376279
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.518117
Hydrogen bond donor count : 1 Electric dipole moment : 2.549
XLogP : 4.525 VDW volume : 249.437079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.928000
Herb list :
Refrences & Litretures:
  
680.      Journal:'BIOLOGIJA'      Year:'2005'      Volume:'4'      Page:'53'      DOI:''      Title:'Chemical composition of essential oil and antimicrobial activity of Origanum vulgare'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us