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ScientificNameLabel
Gamma-Cadinen-15-al
PHCD compound ID : 5447
Chemical Names :
Gamma-Cadinen-15-al
Molecular Formula : C15H22O1
Molecular Weight : 218.167065
More Details :
Names & Synonyms: (4aR,8S,8aR)-8-isopropyl-5-methylene-4,4a,6,7,8,8a-hexahydro-3H-naphthalene-2-carbaldehyde , (4aR,8S,8aR)-5-methylene-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalene-2-carboxaldehyde , (4aR,8S,8aR)-5-methylidene-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalene-2-carbaldehyde , (4aR,8S,8aR)-5-methylidene-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalene-2-carbaldehyde
Smiles: O=CC1=C[C@@H]2[C@@H](CC1)C(=C)CC[C@H]2C(C)C
InChi : InChI=1S/C15H22O/c1-10(2)13-6-4-11(3)14-7-5-12(9-16)8-15(13)14/h8-10,13-15H,3-7H2,1-2H3/t13-,14-,15-/m0/s1
InChi Key : InChIKey=BUKZRIKRHNKXNN-KKUMJFAQSA-N
PubChem ID : 21764931
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.799280
Hydrogen bond donor count : 0 Electric dipole moment : 3.841
XLogP : 4.568 VDW volume : 244.164161
Molecular weight : 218.167065 HOMO-LUMO gap : 9.615000
Herb list :
Refrences & Litretures:
  
906.      Journal:'Molecules'      Year:'2019'      Volume:'24'      Page:'2575'      DOI:'10.3390/molecules24142575'      Title:'Essential Oil of Algerian Eryngium campestre: Chemical Variability and Evaluation of Biological Activities'
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