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ScientificNameLabel
Bicyclosesquiphellandrene
PHCD compound ID : 3063
Chemical Names :
Bicyclosesquiphellandrene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1S,4S)-1-isopropyl-4-methyl-7-methylene-2,3,4,4a,5,6-hexahydro-1H-naphthalene , (1S,4S)-4-methyl-7-methylene-1-propan-2-yl-2,3,4,4a,5,6-hexahydro-1H-naphthalene , (1S,4S)-4-methyl-7-methylidene-1-propan-2-yl-2,3,4,4a,5,6-hexahydro-1H-naphthalene
Smiles: C=C1CC[C@H]2C(=C1)[C@@H](CC[C@@H]2C)C(C)C
InChi : InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,12-14H,3,5-8H2,1-2,4H3/t12-,13-,14+/m0/s1
InChi Key : InChIKey=RNDFUOKDULDZPR-MELADBBJSA-N
PubChem ID : 6428453
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.755787
Hydrogen bond donor count : 0 Electric dipole moment : 1.713
XLogP : 6.239 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 9.284000
Herb list :
Refrences & Litretures:
  
395.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2009'      Volume:'12'      Page:'111'      DOI:'10.1080/0972060X.2009.10643700'      Title:'Chemical Composition and Antimicrobial Activity of Essential Oil of Hyssopus angustifolius M.B'
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