triacontanoic acid methyl ester

ScientificNameLabel

triacontanoic acid methyl ester
PHCD compound ID :	2546
Chemical Names :	triacontanoic acid methyl ester
Molecular Formula :	C31H62O2
Molecular Weight :	466.474981

More Details :

Names & Synonyms:	methyl triacontanoate , triacontanoic acid methyl ester , melissic acid methyl ester
Smiles:	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC
InChi :	InChI=1S/C31H62O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31(32)33-2/h3-30H2,1-2H3
InChi Key :	InChIKey=BIRUBGLRQLAEFF-UHFFFAOYSA-N
PubChem ID :	12400

Rotatable bond count :	29	Rule of five :	2
Hydrogen bond acceptor count :	2	Ionization potential :	10.435334
Hydrogen bond donor count :	0	Electric dipole moment :	4.245
XLogP :	15.857	VDW volume :	559.675977
Molecular weight :	466.474981	HOMO-LUMO gap :	11.600000

Herb list :

Camel thorn - Alhagi pseudalhagi - خارشتر، شبه خارشتر

Refrences & Litretures:


294. Journal:'International Journal of Herbal Medicine' Year:'2014' Volume:'2' Page:'47' DOI:'' Title:'Alhagi pseudalhagi: a review of its phyto-chemistry, pharmacology, folklore claims and Ayurvedic studies'

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