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ScientificNameLabel
Cadala-1(10),3,8-triene
PHCD compound ID : 3924
Chemical Names :
Cadala-1(10),3,8-triene
Molecular Formula : C15H22
Molecular Weight : 202.172151
More Details :
Names & Synonyms: 8-isopropyl-2,5-dimethyl-1,2,8,8a-tetrahydronaphthalene , 2,5-dimethyl-8-propan-2-yl-1,2,8,8a-tetrahydronaphthalene
Smiles: C[C@@H]1C=CC2=C(C)C=C[C@H]([C@@H]2C1)C(C)C
InChi : InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-8,10-11,13,15H,9H2,1-4H3/t11-,13+,15+/m1/s1
InChi Key : InChIKey=GHOAKWKHPKLCNK-ZLDLUXBVSA-N
PubChem ID : 593889
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.164419
Hydrogen bond donor count : 0 Electric dipole moment : 0.677
XLogP : 6.076 VDW volume : 235.373935
Molecular weight : 202.172151 HOMO-LUMO gap : 8.249000
Herb list :
Refrences & Litretures:
  
536.      Journal:'Journal of Analytical Methods in Chemistry'      Year:'2013'      Volume:''      Page:'246986'      DOI:'10.1155/2013/246986'      Title:'Comparative Analysis of the Volatile Components of Agrimonia eupatoria from Leaves and Roots by Gas Chromatography-Mass Spectrometry and Multivariate Curve Resolution'
974.      Journal:'European Food Research and Technology'      Year:'2018'      Volume:'244'      Page:'1169'      DOI:'10.1007/s00217-018-3034-3'      Title:'Chromatographic fingerprint, antioxidant activity, and colour characteristic of polish goldenrod (Solidago virgaurea L.) honey and lower'
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