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Compound: 5546
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y-dehydro-ar-himachalene
ScientificNameLabel
y-dehydro-ar-himachalene
PHCD compound ID :
4604
Chemical Names :
y-dehydro-ar-himachalene , Gamma-dehydro-arhimachalene
Molecular Formula :
C15H20
Molecular Weight :
200.156501
More Details :
Names & Synonyms:
2,5,9,9-tetramethyl-5,8-dihydrobenzo[7]annulene , 2,5,9,9-tetramethyl-5,8-dihydrobenzocycloheptene
Smiles:
Cc1ccc2c(c1)C(C)(C)CC=C[C@H]2C
InChi :
InChI=1S/C15H20/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h5-8,10,12H,9H2,1-4H3/t12-/m1/s1
InChi Key :
InChIKey=KSQQTNWAKSYGCR-GFCCVEGCSA-N
PubChem ID :
6428455
Rotatable bond count :
0
Rule of five :
1
Hydrogen bond acceptor count :
0
Ionization potential :
8.938181
Hydrogen bond donor count :
0
Electric dipole moment :
0.771
XLogP :
5.429
VDW volume :
221.837476
Molecular weight :
200.156501
HOMO-LUMO gap :
9.448000
Herb list :
Dog rose, Briar rose, Hip-rose - Rosa canina - نسترن وحشی، گل سگ
Gum amoniacum, Ammoniac - Dorema ammoniacum - وشا، وشق، کماکندل، کندر
Refrences & Litretures:
714. Journal:'African Journal of Biotechnology' Year:'2010' Volume:'9' Page:'2709' DOI:'' Title:'Phenols, essential oils and carotenoids of Rosa canina from Tunisia and their antioxidant activities'
742. Journal:'Journal of Essential Oil Bearing Plants' Year:'2014' Volume:'17' Page:'1287' DOI:'10.1080/0972060X.2014.977572' Title:'Comparing Stem and Seed Essential Oil in Dorema ammoniacum D. Don. From Iran'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
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