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ScientificNameLabel
Cis-Cadina-1(6),4-diene
PHCD compound ID : 807
Chemical Names :
Cis-Cadina-1(6),4-diene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1S,4S)-1-isopropyl-4,7-dimethyl-1,2,3,4,5,6-hexahydronaphthalene , (1S,4S)-4,7-dimethyl-1-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene
Smiles: CC1=CC2=C(CC1)[C@@H](C)CC[C@H]2C(C)C
InChi : InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,12-13H,5-8H2,1-4H3/t12-,13-/m0/s1
InChi Key : InChIKey=ULTBCADWJVQRCF-STQMWFEESA-N
PubChem ID : 10726906
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.226634
Hydrogen bond donor count : 0 Electric dipole moment : 0.714
XLogP : 5.643 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 8.962000
Herb list :
Refrences & Litretures:
  
57.      Journal:'Intl. Res. J. Appl. Basic. Sci'      Year:'2012'      Volume:'3'      Page:'919'      DOI:''      Title:'Bitter and Sweet Ferula assa-foetida L. Essential oil Composition from Iran and its Comparison with Ferula assa-foetida L. used in India'
907.      Journal:'Chem. Biodiversity'      Year:'2017'      Volume:'14'      Page:'e1700096'      DOI:'10.1002/cbdv.201700096'      Title:'Cytotoxic Essential Oils from Eryngium campestre and Eryngium amethystinum (Apiaceae) Growing in Central Italy'
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