1-nor-Bourbonanone

ScientificNameLabel

1-nor-Bourbonanone
PHCD compound ID :	4530
Chemical Names :	1-nor-Bourbonanone
Molecular Formula :	C14H22O1
Molecular Weight :	206.167065

More Details :

Names & Synonyms:
Smiles:	CC([C@H]1CC[C@@]2([C@H]1[C@H]1C(=O)CC[C@@H]21)C)C
InChi :	InChI=1S/C14H22O/c1-8(2)9-6-7-14(3)10-4-5-11(15)12(10)13(9)14/h8-10,12-13H,4-7H2,1-3H3/t9-,10-,12-,13-,14+/m1/s1
InChi Key :	InChIKey=PYUWACLOPFTHBV-HECBCWNYSA-N
PubChem ID :	12313485

Rotatable bond count :	1	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	9.878624
Hydrogen bond donor count :	0	Electric dipole moment :	3.265
XLogP :	4.248	VDW volume :	219.784635
Molecular weight :	206.167065	HOMO-LUMO gap :	10.853000

Herb list :

Origanum, Marjoram - Origanum vulgare - مرزنجوش، مرزنگوش

Refrences & Litretures:


675. Journal:'Food Control' Year:'2004' Volume:'15' Page:'549' DOI:'10.1016/j.foodcont.2003.08.009' Title:'Biological activities of the essential oils and methanol extract of Origanum vulgare ssp. vulgare in the Eastern Anatolia region of Turkey'

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