Cedranediol(85,13-)

ScientificNameLabel

Cedranediol(85,13-)
PHCD compound ID :	4209
Chemical Names :	Cedranediol(85,13-)
Molecular Formula :	C15H26O2
Molecular Weight :	238.19328

More Details :

Names & Synonyms:
Smiles:	OC[C@@]1(C)[C@H]2C[C@@]3([C@H]1CC[C@H]3C)CC[C@]2(C)O
InChi :	InChI=1S/C15H26O2/c1-10-4-5-11-13(2,9-16)12-8-15(10,11)7-6-14(12,3)17/h10-12,16-17H,4-9H2,1-3H3/t10-,11+,12-,13-,14+,15+/m1/s1
InChi Key :	InChIKey=YULHLOUAHSEHLD-QLKXBERHSA-N
PubChem ID :	536384

Rotatable bond count :	1	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	10.041061
Hydrogen bond donor count :	2	Electric dipole moment :	1.628
XLogP :	3.411	VDW volume :	248.507305
Molecular weight :	238.19328	HOMO-LUMO gap :	12.829000

Herb list :

Artichoke - Cynara scolymus - کنگر فرنگی، آرتیشو

Refrences & Litretures:


605. Journal:'J Sci Food Agric' Year:'2013' Volume:'93' Page:'2494' DOI:'10.1002/jsfa.6065' Title:'Chemical constituents and anti-ulcerogenic potential of the scales of Cynara scolymus (artichoke) heads'

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