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ScientificNameLabel
(+)-Calarene
PHCD compound ID : 5525
Chemical Names :
(+)-Calarene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (7aS)-1,1,7,7a-tetramethyl-2,3,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalene , (7aS)-1,1,7,7a-tetramethyl-2,3,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalene
Smiles: C[C@@H]1CCC=C2[C@]1(C)[C@@H]1[C@@H](C1(C)C)CC2
InChi : InChI=1S/C15H24/c1-10-6-5-7-11-8-9-12-13(14(12,2)3)15(10,11)4/h7,10,12-13H,5-6,8-9H2,1-4H3/t10-,12+,13-,15-/m1/s1
InChi Key : InChIKey=MBIPADCEHSKJDQ-CQROYNQRSA-N
PubChem ID : 146157605
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.946021
Hydrogen bond donor count : 0 Electric dipole moment : 0.292
XLogP : 6.298 VDW volume : 228.290393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.400000
Herb list :
Refrences & Litretures:
  
927.      Journal:'Journal of Essential Oil Bearing Plant'      Year:'2016'      Volume:'19'      Page:'1993'      DOI:'10.1080/0972060X.2016.1256234'      Title:'Chemical Composition and Toxicity of the Essential Oil of Coriandrum sativum L. and Petroselinum crispum L. Against Three Stored-Product Insect Pests'
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