Details of Natural Product (NP)

General Information of Natural Product (ID: NP1109)
  Natural Product Name
Isokessane
  Synonyms
Isokessane; b-Kessane; Q67879959; 1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecane; (1R,3aR,4S,7R,8aR)-1,4,9,9-Tetramethyldecahydro-4,7-(epoxymethano)azulene; 1,4-Ethano-1H-cyclopent[c]oxepin, octahydro-1,3,3,6-tetramethyl-, (1S,4R,5aR,6R,8aR)-; 9-Oxatricyclo[5.3.2.0.(2,6)]dodecane,1,5,8,8,-tetramethyl, [1S,2R,5R,6R,7R]-
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  Formula C15H26O
  Weight 222.37
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C15H26O/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)16-14(11,2)3/h10-13H,5-9H2,1-4H3
  InChI Key QRVMFXFSGYDNJI-UHFFFAOYSA-N
  Isomeric SMILES CC1CCC2C1CC3CCC2(OC3(C)C)C
  Canonical SMILES CC1CCC2C1CC3CCC2(OC3(C)C)C
  External Links PubChem ID 527491
CAS ID 177019-46-4

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Acacia nuperrima ssp. Cassitera
  Factor Name: Chemotype Comparison [1]
              Species Info Factor Info
               Experiment Detail
The leaves and terminal branchlets were collected in the Dimbulah region of north eastern Queensland, Australia. The first collection (R99-218) was located 5 km north and the second collection (R99-219) 30 km west of Dimbulah.
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               Factor Function
Two chemical forms yielding 0.6% and 0.3% on a dry weight basis were found to be rich in kessane (88.8%) and alpha-pinene (16.2%), respectively.
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               Factor Part Location NP Content
 
Chemotype (Dimbulah type)
 Leaves and terminal branches Dimbulah, Queensland, Australia
NP Content: 2 %
References
1 Acacia nuperrima ssp. cassitera, A New Source of Kessane