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ScientificNameLabel
pimaradiene
PHCD compound ID : 2709
Chemical Names :
pimaradiene , Pimara-8(14),15-diene
Molecular Formula : C20H32
Molecular Weight : 272.250401
More Details :
Names & Synonyms: (4aS,4bS,7S,10aS)-1,1,4a,7-tetramethyl-7-vinyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene , (4aS,4bS,7S,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene
Smiles: C=C[C@]1(C)CC[C@H]2C(=C1)CC[C@@H]1[C@]2(C)CCCC1(C)C
InChi : InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,14,16-17H,1,7-13H2,2-5H3/t16-,17-,19+,20+/m0/s1
InChi Key : InChIKey=XDSYKASBVOZOAG-RAUXBKROSA-N
PubChem ID : 440909
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.111047
Hydrogen bond donor count : 0 Electric dipole moment : 0.771
XLogP : 9.429 VDW volume : 312.133858
Molecular weight : 272.250401 HOMO-LUMO gap : 10.456000
Herb list :
Refrences & Litretures:
  
314.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2012'      Volume:'15'      Page:'373'      DOI:'10.1080/0972060X.2012.10644063'      Title:'Chemical Composition and Antimicrobial Activity of the Essential Oil of Verbascum thapsus L'
456.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2013'      Volume:'16'      Page:'781'      DOI:'10.1080/0972060X.2013.813275'      Title:'Chemical Composition of the Essential Oil of Nigella sativa Seeds Extracted by Microwave Steam Distillation'
458.      Journal:'J Food Sci Technol'      Year:'2010'      Volume:'47'      Page:'598'      DOI:'10.1007/s13197-010-0109-y'      Title:'Chemical composition of Nigella sativa L. seed extracts obtained by supercritical carbon dioxide'
459.      Journal:'Flavour Fragr. J'      Year:'2007'      Volume:'22'      Page:'148'      DOI:'10.1002/ffj.1773'      Title:'Chemical composition of seed essential oils from Algerian Nigella sativa extracted by microwave and hydrodistillation'
460.      Journal:'J Sci Food Agric'      Year:'2005'      Volume:'85'      Page:'2297'      DOI:'10.1002/jsfa.2255'      Title:'Chemical constituents and antimicrobial and antioxidant potentials of essential oil and acetone extract of Nigella sativa seeds'
498.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2010'      Volume:'13'      Page:'313'      DOI:'10.1080/0972060X.2010.10643826'      Title:'Chemical Composition of the Leaves Essential Oil of Melilotus officinalis (L.) Pallas from Colombia'
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