Skip Navigation Links
ScientificNameLabel
13-epi-manoyl oxide
PHCD compound ID : 4812
Chemical Names :
13-epi-manoyl oxide
Molecular Formula : C20H34O1
Molecular Weight : 290.260966
More Details :
Names & Synonyms: (3S,4aR,10aS)-3,4a,7,7,10a-pentamethyl-3-vinyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene , (3S,4aR,10aS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f][1]benzopyran , (3S,4aR,10aS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene
Smiles: C=C[C@]1(C)CC[C@H]2[C@@](O1)(C)CC[C@@H]1[C@]2(C)CCCC1(C)C
InChi : InChI=1S/C20H34O/c1-7-18(4)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)21-18/h7,15-16H,1,8-14H2,2-6H3/t15-,16+,18+,19-,20+/m0/s1
InChi Key : InChIKey=IGGWKHQYMAJOHK-GRLGQGAKSA-N
PubChem ID : 18529657
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.450351
Hydrogen bond donor count : 0 Electric dipole moment : 1.687
XLogP : 7.007 VDW volume : 323.560543
Molecular weight : 290.260966 HOMO-LUMO gap : 10.778000
Herb list :
Refrences & Litretures:
  
777.      Journal:'Molecules'      Year:'2009'      Volume:'14'      Page:'1438'      DOI:'10.3390/molecules14041438'      Title:'Chemical Composition and Biological Activities of Essential Oil from Salvia sclarea Plants Regenerated in vitro'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us