Patchoulane

ScientificNameLabel

Patchoulane
PHCD compound ID :	1676
Chemical Names :	Patchoulane
Molecular Formula :	C15H26
Molecular Weight :	206.203451

More Details :

Names & Synonyms:
Smiles:	C[C@@H]1CC[C@@]23[C@H]1C[C@H](C3(C)C)CC[C@H]2C
InChi :	InChI=1S/C15H26/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h10-13H,5-9H2,1-4H3/t10-,11-,12-,13+,15+/m1/s1
InChi Key :	InChIKey=MVZZUMCHPFHUOS-NTASLKFISA-N
PubChem ID :	29408

Rotatable bond count :	0	Rule of five :	1
Hydrogen bond acceptor count :	0	Ionization potential :	10.070025
Hydrogen bond donor count :	0	Electric dipole moment :	0.166
XLogP :	7.563	VDW volume :	230.926852
Molecular weight :	206.203451	HOMO-LUMO gap :	13.698000

Herb list :

Colt's foot, Horse hoof - Tussilago farfara - پای خر

Common purslane - Portulaca oleracea - خرفه

Refrences & Litretures:


189. Journal:'Biochemical Systematics and Ecology' Year:'2012' Volume:'41' Page:'6' DOI:'10.1016/j.bse.2011.11.003' Title:'Metabolic ?ngerprinting investigation of Tussilago farfara L. by GC–MS and multivariate data analysis'
312. Journal:'Talanta' Year:'2010' Volume:'81' Page:'129' DOI:'10.1016/j.talanta.2009.11.047' Title:'Identi?cation of Portulaca oleracea L. from different sources using GC–MS and FT-IR spectroscopy'

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