n-Triacontyl-n-tridecanoate

ScientificNameLabel

n-Triacontyl-n-tridecanoate
PHCD compound ID :	2495
Chemical Names :	n-Triacontyl-n-tridecanoate
Molecular Formula :	C43H86O2
Molecular Weight :	634.662782

More Details :

Names & Synonyms:	triacontyl tridecanoate , tridecanoic acid triacontyl ester , tridecanoic acid melissyl ester
Smiles:	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCC
InChi :	InChI=1S/C43H86O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-45-43(44)41-39-37-35-33-14-12-10-8-6-4-2/h3-42H2,1-2H3
InChi Key :	InChIKey=LGIWRVIRLMKHMX-UHFFFAOYSA-N
PubChem ID :	71372070

Rotatable bond count :	41	Rule of five :	2
Hydrogen bond acceptor count :	2	Ionization potential :	10.567867
Hydrogen bond donor count :	0	Electric dipole moment :	1.723
XLogP :	22.328	VDW volume :	767.227792
Molecular weight :	634.662782	HOMO-LUMO gap :	11.815000

Herb list :

Henna - Lawsonia inermis - حنا

Refrences & Litretures:


289. Journal:'International Journal of Pharmaceutical Sciences and Drug Research' Year:'2010' Volume:'2' Page:'91' DOI:'' Title:'Lawsonia inermis Linnaeus: A Phytopharmacological Review'

Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.

Follow us