Details of Natural Product (NP)

General Information of Natural Product (ID: NP1112)
  Natural Product Name
Kessane
  Synonyms
Kessane; 3321-66-2; 1,4-Ethano-1H-cyclopent(c)oxepin, octahydro-1,3,3,6-tetramethyl-, (1S-(1alpha,4alpha,5abeta,6alpha,8aalpha))-; (1S,2R,5R,6R,8R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane; (1S,2S,5S,6S,8S)-1,5,9,9-Tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane
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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/t10-,11-,12-,13-,15+/m1/s1
  InChI Key QRVMFXFSGYDNJI-HVNMYJMUSA-N
  Isomeric SMILES C[C@@H]1CC[C@@H]2[C@@H]1C[C@H]3CC[C@@]2(OC3(C)C)C
  Canonical SMILES CC1CCC2C1CC3CCC2(OC3(C)C)C
  External Links PubChem ID 11310616
CAS ID 3321-66-2

 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: 88.8 %
References
1 Acacia nuperrima ssp. cassitera, A New Source of Kessane