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ScientificNameLabel
Alpha-corocalene
PHCD compound ID : 5273
Chemical Names :
Alpha-corocalene
Molecular Formula : C15H20
Molecular Weight : 200.156501
More Details :
Names & Synonyms: 5-isopropyl-3,8-dimethyl-1,2-dihydronaphthalene , 3,8-dimethyl-5-propan-2-yl-1,2-dihydronaphthalene
Smiles: CC1=Cc2c(CC1)c(C)ccc2C(C)C
InChi : InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8-10H,5,7H2,1-4H3
InChi Key : InChIKey=VTUZIFHLLUSULC-UHFFFAOYSA-N
PubChem ID : 5316074
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.433107
Hydrogen bond donor count : 0 Electric dipole moment : 1.339
XLogP : 5.117 VDW volume : 221.837476
Molecular weight : 200.156501 HOMO-LUMO gap : 8.632000
Herb list :
Refrences & Litretures:
  
843.      Journal:'Journal of Essential Oil Research'      Year:'2010'      Volume:'22'      Page:'354'      DOI:'10.1080/10412905.2010.9700344'      Title:'Essential Oil Composition of Ephedra nebrodensis Tineo ex Guss. subsp. nebrodensis from Central Italy'
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