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ScientificNameLabel
Calerene
PHCD compound ID : 881
Chemical Names :
Calerene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: 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-PBOSXPJTSA-N
PubChem ID : 28481
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.079717
Hydrogen bond donor count : 0 Electric dipole moment : 0.335
XLogP : 6.298 VDW volume : 228.290393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.497000
Herb list :
Refrences & Litretures:
  
72.      Journal:'Industrial Crops and Products'      Year:'2006'      Volume:'24'      Page:'253'      DOI:'10.1016/j.indcrop.2006.06.011'      Title:'Seasonal variation of Thymus hyemalis Lange and Spanish Thymus vulgaris L. essential oils composition'
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