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ScientificNameLabel
3a.7-Methano-3aH-cyclopentacyclooctene.decahydro-1.1.7-trimethyl-.[3aS-(3a.alpha.7.alpha.9a.beta.)]-
PHCD compound ID : 3738
Chemical Names :
3a.7-Methano-3aH-cyclopentacyclooctene.decahydro-1.1.7-trimethyl-.[3aS-(3a.alpha.7.alpha.9a.beta.)]-
Molecular Formula : C15H26
Molecular Weight : 206.203451
More Details :
Names & Synonyms: 1,1,7-trimethyl-3,4,5,6,8,9,9a,10-octahydro-2H-tricyclo[6.3.1.0^{1,5}]dodecane
Smiles: C[C@]12CCC[C@@]3(C2)[C@H](CC1)C(CC3)(C)C
InChi : InChI=1S/C15H26/c1-13(2)9-10-15-7-4-6-14(3,11-15)8-5-12(13)15/h12H,4-11H2,1-3H3/t12-,14+,15-/m1/s1
InChi Key : InChIKey=RKEKUXDRGCRXMQ-VHDGCEQUSA-N
PubChem ID : 521209
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 10.170398
Hydrogen bond donor count : 0 Electric dipole moment : 0.073
XLogP : 7.722 VDW volume : 230.926852
Molecular weight : 206.203451 HOMO-LUMO gap : 13.884000
Herb list :
Refrences & Litretures:
  
513.      Journal:'J. of Supercritical Fluids'      Year:'2014'      Volume:'95'      Page:'373'      DOI:'10.1016/j.sup?u.2014.08.009'      Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'
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