Skip Navigation Links
ScientificNameLabel
Neocembrene A
PHCD compound ID : 4504
Chemical Names :
Neocembrene A
Molecular Formula : C20H32
Molecular Weight : 272.250401
More Details :
Names & Synonyms: (1E,5E,9E,12S)-12-isopropenyl-1,5,9-trimethyl-cyclotetradeca-1,5,9-triene , (1E,5E,9E,12S)-1,5,9-trimethyl-12-(1-methylethenyl)cyclotetradeca-1,5,9-triene , (1E,5E,9E,12S)-1,5,9-trimethyl-12-prop-1-en-2-ylcyclotetradeca-1,5,9-triene , (1E,5E,9E,12S)-1,5,9-trimethyl-12-prop-1-en-2-yl-cyclotetradeca-1,5,9-triene
Smiles: C/C/1=C\C[C@H](CC/C(=C/CC/C(=C/CC1)/C)/C)C(=C)C
InChi : InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,20H,1,6-7,9-10,13-15H2,2-5H3/b17-8+,18-12+,19-11+/t20-/m1/s1
InChi Key : InChIKey=VWSPQDDPRITBAM-UYSOGGTPSA-N
PubChem ID : 11208039
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.024796
Hydrogen bond donor count : 0 Electric dipole moment : 1.851
XLogP : 7.373 VDW volume : 331.573858
Molecular weight : 272.250401 HOMO-LUMO gap : 10.359000
Herb list :
Refrences & Litretures:
  
666.      Journal:'Ann Chim'      Year:'2007'      Volume:'97'      Page:'837'      DOI:''      Title:'Chemical composition and antimicrobial activity of some oleogum resin essential oils from Boswellia spp. (Burseraceae)'
925.      Journal:'Annali di Chimica'      Year:'2007'      Volume:'97'      Page:'837'      DOI:''      Title:'CHEMICAL COMPOSITION AND ANTIMICROBIAL ACTIVITY OF SOME OLEOGUM RESIN ESSENTIAL OILS FROM BOSWELLIA SPP. (BURSERACEAE)'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us